 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer15_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-26015.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26031.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer15_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0458833545 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.7799230319 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.58D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.620214752789    
 DIIS: error= 2.66D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.620214752789     IErMin= 1 ErrMin= 2.66D-03
 ErrMax= 2.66D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-03 BMatP= 8.03D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.66D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.10D-02 MaxDP=1.10D+00              OVMax= 1.77D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.25D-03    CP:  1.28D+00
 E= -465.627262415272     Delta-E=       -0.007047662483 Rises=F Damp=F
 DIIS: error= 7.67D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.627262415272     IErMin= 2 ErrMin= 7.67D-04
 ErrMax= 7.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-04 BMatP= 8.03D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.67D-03
 Coeff-Com:  0.361D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.359D-01 0.964D+00
 Gap=     0.196 Goal=   None    Shift=    0.000
 RMSDP=4.84D-04 MaxDP=5.93D-02 DE=-7.05D-03 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.28D-04    CP:  1.29D+00  1.04D+00
 E= -465.626906540530     Delta-E=        0.000355874742 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.627262415272     IErMin= 2 ErrMin= 7.67D-04
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-04 BMatP= 2.65D-04
 IDIUse=3 WtCom= 2.31D-01 WtEn= 7.69D-01
 Coeff-Com: -0.116D-01 0.636D+00 0.375D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.269D-02 0.677D+00 0.326D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=6.20D-03 DE= 3.56D-04 OVMax= 7.56D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.13D-05    CP:  1.29D+00  1.04D+00  6.66D-01
 E= -465.627484075206     Delta-E=       -0.000577534675 Rises=F Damp=F
 DIIS: error= 1.44D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.627484075206     IErMin= 4 ErrMin= 1.44D-04
 ErrMax= 1.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-05 BMatP= 2.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.44D-03
 Coeff-Com: -0.903D-02 0.325D+00 0.172D+00 0.512D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.901D-02 0.324D+00 0.172D+00 0.513D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.05D-05 MaxDP=2.04D-03 DE=-5.78D-04 OVMax= 7.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.84D-05    CP:  1.29D+00  1.04D+00  5.85D-01  8.55D-01
 E= -465.627500361931     Delta-E=       -0.000016286725 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.627500361931     IErMin= 5 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-07 BMatP= 1.54D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-02 0.387D-01 0.249D-01 0.143D+00 0.795D+00
 Coeff:     -0.193D-02 0.387D-01 0.249D-01 0.143D+00 0.795D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=6.46D-04 DE=-1.63D-05 OVMax= 2.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.43D-06    CP:  1.29D+00  1.04D+00  5.98D-01  8.33D-01  9.39D-01
 E= -465.627500627648     Delta-E=       -0.000000265717 Rises=F Damp=F
 DIIS: error= 1.23D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.627500627648     IErMin= 6 ErrMin= 1.23D-05
 ErrMax= 1.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-07 BMatP= 3.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-03 0.288D-02 0.443D-02 0.509D-01 0.470D+00 0.473D+00
 Coeff:     -0.569D-03 0.288D-02 0.443D-02 0.509D-01 0.470D+00 0.473D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.23D-06 MaxDP=1.21D-04 DE=-2.66D-07 OVMax= 1.76D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.66D-06    CP:  1.29D+00  1.04D+00  5.98D-01  8.40D-01  9.48D-01
                    CP:  6.60D-01
 E= -465.627500781554     Delta-E=       -0.000000153907 Rises=F Damp=F
 DIIS: error= 2.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.627500781554     IErMin= 7 ErrMin= 2.36D-06
 ErrMax= 2.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.33D-09 BMatP= 1.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-03-0.930D-03 0.580D-03 0.153D-01 0.178D+00 0.238D+00
 Coeff-Com:  0.569D+00
 Coeff:     -0.162D-03-0.930D-03 0.580D-03 0.153D-01 0.178D+00 0.238D+00
 Coeff:      0.569D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=9.29D-07 MaxDP=3.03D-05 DE=-1.54D-07 OVMax= 5.59D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.26D-07    CP:  1.29D+00  1.04D+00  5.98D-01  8.43D-01  9.51D-01
                    CP:  6.49D-01  8.14D-01
 E= -465.627500787291     Delta-E=       -0.000000005737 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.627500787291     IErMin= 8 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 6.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.240D-04-0.928D-03-0.197D-03 0.228D-02 0.459D-01 0.821D-01
 Coeff-Com:  0.346D+00 0.525D+00
 Coeff:     -0.240D-04-0.928D-03-0.197D-03 0.228D-02 0.459D-01 0.821D-01
 Coeff:      0.346D+00 0.525D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=2.58D-07 MaxDP=1.03D-05 DE=-5.74D-09 OVMax= 1.67D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.83D-07    CP:  1.29D+00  1.04D+00  5.98D-01  8.43D-01  9.52D-01
                    CP:  6.52D-01  8.40D-01  7.89D-01
 E= -465.627500788556     Delta-E=       -0.000000001264 Rises=F Damp=F
 DIIS: error= 1.79D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.627500788556     IErMin= 9 ErrMin= 1.79D-07
 ErrMax= 1.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-11 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.344D-05-0.345D-03-0.118D-03-0.386D-03 0.528D-02 0.164D-01
 Coeff-Com:  0.109D+00 0.243D+00 0.627D+00
 Coeff:      0.344D-05-0.345D-03-0.118D-03-0.386D-03 0.528D-02 0.164D-01
 Coeff:      0.109D+00 0.243D+00 0.627D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.86D-08 MaxDP=1.94D-06 DE=-1.26D-09 OVMax= 1.80D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.42D-08    CP:  1.29D+00  1.04D+00  5.98D-01  8.43D-01  9.52D-01
                    CP:  6.56D-01  8.43D-01  7.77D-01  7.31D-01
 E= -465.627500788615     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 4.20D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.627500788615     IErMin=10 ErrMin= 4.20D-08
 ErrMax= 4.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-12 BMatP= 5.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-05-0.104D-03-0.310D-04-0.337D-03-0.431D-03 0.230D-02
 Coeff-Com:  0.272D-01 0.767D-01 0.279D+00 0.616D+00
 Coeff:      0.315D-05-0.104D-03-0.310D-04-0.337D-03-0.431D-03 0.230D-02
 Coeff:      0.272D-01 0.767D-01 0.279D+00 0.616D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=2.21D-08 MaxDP=1.21D-06 DE=-5.93D-11 OVMax= 3.56D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.29D+00  1.04D+00  5.98D-01  8.43D-01  9.52D-01
                    CP:  6.55D-01  8.44D-01  7.82D-01  7.56D-01  7.79D-01
 E= -465.627500788644     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 1.13D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.627500788644     IErMin=11 ErrMin= 1.13D-08
 ErrMax= 1.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-13 BMatP= 3.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-05-0.237D-04-0.166D-05-0.129D-03-0.482D-03 0.840D-04
 Coeff-Com:  0.544D-02 0.196D-01 0.847D-01 0.270D+00 0.620D+00
 Coeff:      0.112D-05-0.237D-04-0.166D-05-0.129D-03-0.482D-03 0.840D-04
 Coeff:      0.544D-02 0.196D-01 0.847D-01 0.270D+00 0.620D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.62D-09 MaxDP=1.80D-07 DE=-2.86D-11 OVMax= 8.90D-08

 SCF Done:  E(RB3LYP) =  -465.627500789     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0116
 KE= 4.602730014039D+02 PE=-2.301536352591D+03 EE= 7.638559273668D+02
 Leave Link  502 at Thu Aug 12 20:42:18 2021, MaxMem=  5368709120 cpu:             758.6 elap:              95.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.44334751D+02

 Leave Link  801 at Thu Aug 12 20:42:19 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.46D-01 9.57D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 4.50D-02 7.20D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.54D-03 1.91D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.50D-04 3.06D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.03D-05 5.21D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 2.59D-07 9.57D-05.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 6.07D-09 1.70D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.13D-10 2.29D-06.
     10 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.09D-12 2.23D-07.
      3 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.33D-14 1.85D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.170418D+03
      2 -0.588551D+01  0.120244D+03
      3  0.707199D+01 -0.319072D+01  0.102018D+03
 Isotropic polarizability for W=    0.085645      130.89 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.714627D+02 -0.165143D+02  0.359986D+02
      2  -0.191169D+02  0.178937D+02 -0.182765D+02
      3  -0.523459D+02 -0.137936D+01 -0.177221D+02
      4   0.139611D+01 -0.325359D+02 -0.339090D+02
      5   0.319382D+02 -0.321328D+02 -0.863114D+02
      6  -0.111816D+02 -0.447274D+01  0.270554D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.298607D+01 -0.173709D+01 -0.110757D+02
      2   0.453485D+02 -0.146710D+02 -0.346702D+02
      3  -0.287946D+01  0.182792D+02  0.124458D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.177614D+01  0.138038D+02 -0.284347D+02
      2   0.406042D+01 -0.227273D+02 -0.339656D+02
      3   0.179104D+02  0.134190D+02  0.209512D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.668570D+00 -0.866982D+01  0.217325D+01
      2  -0.866982D+01  0.203408D+01  0.152942D+01
      3   0.217325D+01  0.152942D+01 -0.604649D+00
 OR G Eigenvalues:    -8.9325     0.2296     9.4638  Iso=    -0.2536
 Eigenvectors:
   (1)   0.726618   0.616680  -0.302873
   (2)   0.213167   0.216723   0.952676
   (3)  -0.653135   0.756794  -0.026019
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2536 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -79.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.77D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.69D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 6.09D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 6.75D-02 5.21D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.78D-03 6.55D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.81D-05 5.80D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.77D-07 5.71D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.90D-09 4.53D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 7.29D-12 2.29D-07.
     14 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.36D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.84D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.84D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.86D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.170418D+03 -0.588551D+01  0.707199D+01
      2  -0.588551D+01  0.120244D+03 -0.319072D+01
      3   0.707199D+01 -0.319072D+01  0.102018D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.298607D+01 -0.173709D+01 -0.110757D+02
      2   0.453485D+02 -0.146710D+02 -0.346702D+02
      3  -0.287946D+01  0.182792D+02  0.124458D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.714627D+02 -0.165143D+02  0.359986D+02
      2  -0.191169D+02  0.178937D+02 -0.182765D+02
      3  -0.523459D+02 -0.137936D+01 -0.177221D+02
      4   0.139611D+01 -0.325359D+02 -0.339090D+02
      5   0.319382D+02 -0.321328D+02 -0.863114D+02
      6  -0.111816D+02 -0.447274D+01  0.270554D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.375999D+01 -0.190830D+01 -0.400072D+01 -0.101407D+01 -0.386396D+01
      2  -0.190830D+01 -0.379480D+01  0.218940D+01 -0.386396D+01 -0.193612D+01
      3  -0.400072D+01  0.218940D+01  0.349983D+01  0.221686D+01 -0.202384D+01
                 6             7             8             9            10 
      1   0.221686D+01 -0.325099D+01  0.265362D+01  0.325144D+01 -0.262612D+02
      2  -0.202384D+01  0.265362D+01 -0.129385D+01  0.851661D+00  0.437407D+01
      3   0.156370D+01  0.325144D+01  0.851661D+00  0.867410D+00  0.317647D+01
                11            12            13            14            15 
      1   0.437407D+01  0.317647D+01  0.145185D+02  0.155637D+01 -0.269222D+01
      2   0.259190D+01 -0.215350D+01  0.155637D+01  0.453143D+01  0.137279D+01
      3  -0.215350D+01 -0.342166D+01 -0.269222D+01  0.137279D+01 -0.883930D+00
                16            17            18            19            20 
      1   0.159263D+02 -0.386641D+01 -0.564055D+01  0.407427D+02 -0.460342D+01
      2  -0.386641D+01  0.262611D+01 -0.305506D+00 -0.460342D+01  0.286544D+01
      3  -0.564055D+01 -0.305506D+00 -0.284764D+01  0.918291D+00  0.944002D+00
                21            22            23            24            25 
      1   0.918291D+00 -0.131080D+02  0.310928D+01  0.210818D+01 -0.594756D+01
      2   0.944002D+00  0.310928D+01  0.178708D+01 -0.174682D+01  0.247040D+01
      3   0.278036D+01  0.210818D+01 -0.174682D+01 -0.213738D+01  0.673068D+01
                26            27            28            29            30 
      1   0.247040D+01  0.673068D+01 -0.553477D+02  0.473118D+01 -0.467372D+01
      2  -0.267420D+01 -0.175961D+01  0.473118D+01 -0.240644D+01 -0.121182D+00
      3  -0.175961D+01  0.542399D+01 -0.467372D+01 -0.121182D+00 -0.214343D+01
                31            32            33            34            35 
      1   0.152317D+02 -0.451643D+01  0.904141D+00 -0.151070D+02 -0.194813D-01
      2  -0.451643D+01 -0.197442D+01  0.119085D+01 -0.194813D-01  0.117021D+01
      3   0.904141D+00  0.119085D+01  0.140133D+01 -0.675567D+01  0.112275D+01
                36            37            38            39            40 
      1  -0.675567D+01  0.520558D+02 -0.673631D+01  0.641866D+01 -0.115407D+02
      2   0.112275D+01 -0.673631D+01  0.113686D+01 -0.434928D+00  0.363117D+01
      3  -0.477035D+01  0.641866D+01 -0.434928D+00  0.227649D+01 -0.633253D+00
                41            42            43            44            45 
      1   0.363117D+01 -0.633253D+00  0.158004D+02 -0.999015D+00  0.550680D+01
      2   0.299942D+01 -0.162297D+01 -0.999015D+00 -0.189653D+01 -0.132509D+01
      3  -0.162297D+01 -0.168304D+01  0.550680D+01 -0.132509D+01  0.254191D+01
                46            47            48            49            50 
      1  -0.395731D+02  0.725307D+01 -0.703758D+01  0.109160D+02 -0.374428D+01
      2   0.725307D+01 -0.212173D+01  0.191657D+01 -0.374428D+01 -0.215754D+01
      3  -0.703758D+01  0.191657D+01 -0.121961D+01  0.316203D+01  0.105611D+00
                51            52            53            54            55 
      1   0.316203D+01 -0.110191D+02  0.284667D+01 -0.178540D+01  0.344388D+02
      2   0.105611D+00  0.284667D+01  0.255048D+00  0.866127D+00 -0.661644D+01
      3   0.119728D+01 -0.178540D+01  0.866127D+00 -0.754205D+00  0.549618D+01
                56            57            58            59            60 
      1  -0.661644D+01  0.549618D+01 -0.245589D+02  0.711131D+01 -0.411068D+01
      2   0.315187D+01 -0.125284D+01  0.711131D+01 -0.537691D+01  0.177043D+01
      3  -0.125284D+01  0.221235D+01 -0.411068D+01  0.177043D+01 -0.197100D+01
                61            62            63            64            65 
      1   0.123079D+02 -0.188487D+01  0.615643D+01  0.696649D+01 -0.290537D+01
      2  -0.188487D+01  0.996914D+00 -0.263055D+01 -0.290537D+01 -0.317981D+01
      3   0.615643D+01 -0.263055D+01  0.366600D+01 -0.221985D+01  0.271738D+01
                66            67            68            69            70 
      1  -0.221985D+01 -0.263276D+01 -0.227863D+01  0.293014D+01 -0.470821D+01
      2   0.271738D+01 -0.227863D+01 -0.366101D+01 -0.460883D+00  0.306648D+01
      3   0.286672D+01  0.293014D+01 -0.460883D+00  0.175655D+01  0.398585D+01
                71            72            73            74            75 
      1   0.306648D+01  0.398585D+01  0.359840D+01  0.203340D+01  0.137264D+01
      2  -0.105502D+01  0.639233D+00  0.203340D+01 -0.247432D+01 -0.849583D+00
      3   0.639233D+00  0.458862D+01  0.137264D+01 -0.849583D+00  0.299522D+01
                76            77            78            79            80 
      1   0.330148D+01 -0.276051D+01 -0.180891D+01 -0.147712D+01 -0.140030D+01
      2  -0.276051D+01 -0.567474D+01 -0.392502D+00 -0.140030D+01 -0.988371D+00
      3  -0.180891D+01 -0.392502D+00  0.142349D+01  0.517632D+01  0.212077D+01
                81            82            83            84            85 
      1   0.517632D+01  0.347994D+01 -0.233153D+01 -0.210438D+01 -0.313301D+01
      2   0.212077D+01 -0.233153D+01 -0.175914D+01  0.175970D+01 -0.226533D+01
      3  -0.125080D+01 -0.210438D+01  0.175970D+01 -0.852934D+00  0.147646D+01
                86            87            88            89            90 
      1  -0.226533D+01  0.147646D+01 -0.222679D+01  0.202822D+01 -0.120282D+01
      2   0.147402D+01  0.289670D+01  0.202822D+01  0.410085D+01  0.268488D+01
      3   0.289670D+01  0.226214D+01 -0.120282D+01  0.268488D+01 -0.470979D+00
                91            92            93            94            95 
      1  -0.905220D+01 -0.201767D+01 -0.213019D+01  0.320453D+00  0.354256D+01
      2  -0.201767D+01  0.354962D+01 -0.778612D-01  0.354256D+01  0.107654D+01
      3  -0.213019D+01 -0.778612D-01  0.178169D+01 -0.535773D-01 -0.121964D+01
                96            97            98            99           100 
      1  -0.535773D-01 -0.325113D+01 -0.186265D+00  0.447403D+00 -0.650070D+01
      2  -0.121964D+01 -0.186265D+00 -0.120434D+01 -0.271704D+01 -0.164938D+01
      3  -0.188576D+01  0.447403D+00 -0.271704D+01  0.386099D+01 -0.276302D+01
               101           102           103           104           105 
      1  -0.164938D+01 -0.276302D+01 -0.288853D+00 -0.916832D+00 -0.172184D+00
      2  -0.127101D+01 -0.496952D+00 -0.916832D+00 -0.225409D+00 -0.570788D+00
      3  -0.496952D+00 -0.222706D+01 -0.172184D+00 -0.570788D+00 -0.380036D+00
               106           107           108           109           110 
      1  -0.501201D+01 -0.794879D+00 -0.315447D+01 -0.285575D+01 -0.159481D+01
      2  -0.794879D+00 -0.137995D+01 -0.105943D+01 -0.159481D+01 -0.772776D+00
      3  -0.315447D+01 -0.105943D+01 -0.278812D+01  0.189961D+01  0.843918D+00
               111           112           113           114           115 
      1   0.189961D+01 -0.699392D+00 -0.137926D+01  0.101770D+01  0.491864D+01
      2   0.843918D+00 -0.137926D+01 -0.134367D+01  0.136202D+01  0.202011D+01
      3  -0.199629D+01  0.101770D+01  0.136202D+01 -0.131230D+01 -0.413093D+01
               116           117           118           119           120 
      1   0.202011D+01 -0.413093D+01 -0.645159D+01  0.103257D+01 -0.196587D+01
      2   0.232779D+01 -0.210196D+01  0.103257D+01 -0.537424D+00  0.306635D-01
      3  -0.210196D+01  0.521058D+01 -0.196587D+01  0.306635D-01 -0.179612D+01
               121           122           123           124           125 
      1   0.502317D+01 -0.119526D+01  0.170205D+00 -0.337498D+01 -0.110382D+00
      2  -0.119526D+01  0.184296D+00 -0.101668D+01 -0.110382D+00 -0.117690D+01
      3   0.170205D+00 -0.101668D+01  0.109850D+01 -0.368403D+01  0.931316D+00
               126           127           128           129           130 
      1  -0.368403D+01  0.204891D+01 -0.208069D+00  0.979916D+00 -0.338157D+00
      2   0.931316D+00 -0.208069D+00  0.156498D+01 -0.783082D+00  0.838367D+00
      3  -0.877168D+01  0.979916D+00 -0.783082D+00  0.128220D+01 -0.526977D+00
               131           132           133           134           135 
      1   0.838367D+00 -0.526977D+00  0.172192D+01 -0.662994D+00  0.865091D+00
      2  -0.232218D+01  0.883008D+00 -0.662994D+00  0.192996D+01 -0.176565D+01
      3   0.883008D+00 -0.118987D+01  0.865091D+00 -0.176565D+01  0.293046D+01
               136           137           138           139           140 
      1  -0.952779D+00 -0.101398D+01 -0.465412D+00 -0.179574D+00 -0.459945D+00
      2  -0.101398D+01 -0.137719D+00 -0.222275D+00 -0.459945D+00 -0.723841D+01
      3  -0.465412D+00 -0.222275D+00  0.149345D-01 -0.288441D+00 -0.341945D+01
               141           142           143           144           145 
      1  -0.288441D+00 -0.104737D+01 -0.509483D+00  0.457739D-01  0.219939D+01
      2  -0.341945D+01 -0.509483D+00 -0.487261D+01 -0.353019D+01  0.191987D+01
      3  -0.241009D+01  0.457739D-01 -0.353019D+01 -0.327612D+01  0.615456D+00
               146           147           148           149           150 
      1   0.191987D+01  0.615456D+00  0.165230D+01  0.232241D+01  0.200488D+00
      2   0.278671D+01  0.547851D+00  0.232241D+01  0.551708D+01  0.145682D+01
      3   0.547851D+00  0.769566D+00  0.200488D+00  0.145682D+01  0.146498D+01
               151           152           153           154           155 
      1  -0.271237D+00 -0.313667D-01  0.266618D+00  0.187606D+01 -0.854984D+00
      2  -0.313667D-01  0.123755D+00  0.635034D+00 -0.854984D+00  0.150721D+01
      3   0.266618D+00  0.635034D+00  0.257243D+00  0.130848D+01 -0.705026D+00
               156           157           158           159           160 
      1   0.130848D+01 -0.127191D+01  0.138358D+01 -0.890455D+00  0.887018D+00
      2  -0.705026D+00  0.138358D+01 -0.237110D+01  0.129471D+01 -0.703476D+00
      3   0.150583D+01 -0.890455D+00  0.129471D+01 -0.262482D+01  0.784817D+00
               161           162           163           164           165 
      1  -0.703476D+00  0.784817D+00 -0.561430D+01  0.164001D+01  0.379339D+01
      2   0.112106D+01 -0.126873D+01  0.164001D+01 -0.121315D+01 -0.151018D+01
      3  -0.126873D+01  0.254562D+01  0.379339D+01 -0.151018D+01 -0.434567D+01
               166           167           168           169           170 
      1   0.657038D+00 -0.741434D+00 -0.838409D+00  0.221824D+01 -0.104875D+01
      2  -0.741434D+00  0.122837D+01  0.132840D+01 -0.104875D+01  0.102300D+01
      3  -0.838409D+00  0.132840D+01  0.830069D+00 -0.319497D+01  0.125721D+01
               171           172           173           174           175 
      1  -0.319497D+01 -0.245711D+01  0.301574D+00 -0.169390D+01 -0.920247D+00
      2   0.125721D+01  0.301574D+00 -0.667484D-01 -0.185456D+00  0.766283D-01
      3   0.450958D+01 -0.169390D+01 -0.185456D+00 -0.218462D+01 -0.811220D+00
               176           177           178           179           180 
      1   0.766283D-01 -0.811220D+00 -0.239152D+01  0.184895D+00 -0.330022D+01
      2  -0.413764D+00 -0.767869D+00  0.184895D+00 -0.137582D+01  0.185590D+00
      3  -0.767869D+00 -0.141810D+01 -0.330022D+01  0.185590D+00 -0.703216D+01
               181           182           183           184           185 
      1   0.119192D+01  0.134513D+01  0.537812D-01  0.155455D+01  0.889092D+00
      2   0.134513D+01  0.374940D+01 -0.863714D+00  0.889092D+00  0.787247D+01
      3   0.537812D-01 -0.863714D+00  0.632546D+00 -0.273159D+00 -0.118155D+01
               186           187           188           189           190 
      1  -0.273159D+00  0.469132D+00 -0.507832D+00 -0.114992D+00 -0.817777D+01
      2  -0.118155D+01 -0.507832D+00 -0.590326D+00  0.107208D+01  0.351290D+01
      3   0.101247D+01 -0.114992D+00  0.107208D+01 -0.857482D+00  0.201240D+01
               191           192           193           194           195 
      1   0.351290D+01  0.201240D+01  0.166500D+01 -0.185279D+01 -0.830246D+00
      2  -0.201528D+01 -0.882262D+00 -0.185279D+01  0.213640D+01  0.654659D+00
      3  -0.882262D+00 -0.183859D+01 -0.830246D+00  0.654659D+00  0.315653D+00
               196           197           198           199           200 
      1   0.506552D+01 -0.225555D+01 -0.231750D+01 -0.377080D+00  0.146378D+01
      2  -0.225555D+01  0.201991D+01  0.862266D+00  0.146378D+01  0.866673D+00
      3  -0.231750D+01  0.862266D+00  0.155621D+01 -0.690679D+00 -0.129248D+00
               201           202           203           204           205 
      1  -0.690679D+00  0.186812D+01  0.101643D+01  0.670401D-01 -0.198660D+01
      2  -0.129248D+00  0.101643D+01  0.585741D+01 -0.176648D+01  0.464963D+00
      3  -0.889105D-01  0.670401D-01 -0.176648D+01  0.125371D+01  0.865132D+00
               206           207           208           209           210 
      1   0.464963D+00  0.865132D+00  0.220424D+00 -0.110586D+01  0.351475D+00
      2  -0.143451D+01  0.893082D+00 -0.110586D+01 -0.955878D-01 -0.519424D-01
      3   0.893082D+00 -0.472894D+00  0.351475D+00 -0.519424D-01  0.152031D+00
               211           212           213           214           215 
      1  -0.225556D+01 -0.330203D+00 -0.717678D-01  0.636038D+00 -0.971434D-01
      2  -0.330203D+00 -0.682578D+01  0.112621D+01 -0.971434D-01  0.152331D+01
      3  -0.717678D-01  0.112621D+01 -0.103123D+01 -0.268530D+00 -0.840120D+00
               216           217           218           219           220 
      1  -0.268530D+00  0.131199D+01  0.285791D+00 -0.518100D+00  0.136191D+01
      2  -0.840120D+00  0.285791D+00 -0.968611D+00  0.203554D+00  0.187554D+00
      3   0.384635D+00 -0.518100D+00  0.203554D+00 -0.644429D+00 -0.269344D-02
               221           222           223           224           225 
      1   0.187554D+00 -0.269344D-02 -0.207820D+01 -0.103672D+01  0.746224D+00
      2   0.151653D+01 -0.113558D+01 -0.103672D+01 -0.242317D+01  0.248398D+01
      3  -0.113558D+01  0.138304D+01  0.746224D+00  0.248398D+01 -0.683186D+01
               226           227           228           229           230 
      1   0.102447D+02  0.291386D+01  0.789154D+00  0.136773D+01  0.110349D+01
      2   0.291386D+01  0.179412D+01  0.208189D+00  0.110349D+01  0.771504D+00
      3   0.789154D+00  0.208189D+00  0.117683D+01  0.153247D+00  0.318803D+00
               231           232           233           234           235 
      1   0.153247D+00  0.162193D+01  0.516488D+00  0.120215D+01 -0.514149D+00
      2   0.318803D+00  0.516488D+00  0.598720D+00  0.672211D+00  0.738912D+00
      3   0.332308D+00  0.120215D+01  0.672211D+00  0.185396D+00  0.107752D+01
               236           237           238           239           240 
      1   0.738912D+00  0.107752D+01  0.250330D+01 -0.463372D+00 -0.402304D+00
      2  -0.275023D+01 -0.641201D+00 -0.463372D+00  0.456851D+01  0.156405D+01
      3  -0.641201D+00 -0.118727D+01 -0.402304D+00  0.156405D+01  0.163232D+01
               241           242           243 
      1   0.157675D+01 -0.136922D+00 -0.480639D+00
      2  -0.136922D+00  0.254897D+01  0.202569D+01
      3  -0.480639D+00  0.202569D+01  0.159566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.120513D+01 -0.112579D+02  0.181896D+01 -0.115662D+02 -0.288811D+01
      2   0.827211D+01  0.945645D+00  0.521666D+01 -0.891913D+00  0.124592D+02
      3  -0.233769D+01 -0.110786D+02 -0.988690D+00 -0.658360D+01 -0.797389D+01
                 6             7             8             9            10 
      1  -0.870374D+01  0.223125D+01 -0.216525D+01  0.316916D+01 -0.103985D+02
      2  -0.727230D+01 -0.236527D+01 -0.575166D+01 -0.717356D+01 -0.307404D+02
      3  -0.449545D+00  0.188201D+01 -0.762698D-01  0.424939D+01  0.407795D+01
                11            12            13            14            15 
      1   0.600466D+01  0.258475D+01  0.548638D+01 -0.741689D+00 -0.377298D+01
      2   0.796066D+01  0.123271D+02  0.194618D+02 -0.721923D+01  0.198658D+01
      3   0.631593D+01 -0.185711D+01  0.114559D+02  0.150018D+02  0.179255D+01
                16            17            18            19            20 
      1   0.565936D+01  0.574706D+01  0.887598D+00  0.127222D+02 -0.426493D+01
      2   0.181654D+02  0.951691D+00  0.341338D+01  0.307189D+02 -0.584543D+01
      3  -0.353479D+01  0.687576D+00 -0.378137D+01 -0.511408D+01 -0.467145D+01
                21            22            23            24            25 
      1  -0.309371D+01 -0.630052D+01 -0.537427D+01 -0.629132D+00 -0.899758D+01
      2   0.123951D+01 -0.164364D+02  0.518752D+01  0.441467D+01 -0.210425D+02
      3  -0.927319D+00  0.908200D+01 -0.166610D+01 -0.808357D+00 -0.276903D+01
                26            27            28            29            30 
      1   0.456285D+01  0.283337D+01 -0.119226D+02  0.185114D+01  0.172068D+01
      2   0.390646D+01  0.289929D+01 -0.325070D+02  0.237513D+01 -0.729060D+01
      3  -0.986781D+00 -0.177876D+01  0.741364D+01  0.273750D+01  0.247862D+01
                31            32            33            34            35 
      1   0.339944D+01  0.299691D+01 -0.229559D+01  0.553017D+01  0.295451D+01
      2   0.940101D+01 -0.306540D+01  0.157936D+01 -0.449068D+02  0.333057D+01
      3   0.187411D+02 -0.136726D+01  0.100020D+01  0.841443D+01  0.138566D+01
                36            37            38            39            40 
      1  -0.831805D+00  0.930142D+01 -0.171167D+01 -0.328738D+01 -0.861932D+01
      2  -0.994551D+01  0.391451D+02 -0.353575D+01  0.125634D+02 -0.680123D+01
      3   0.881127D+00  0.145717D+01 -0.665667D+01 -0.197464D+01  0.102270D+02
                41            42            43            44            45 
      1   0.478538D+00 -0.204588D+01 -0.685417D+01  0.101138D+01 -0.112128D+01
      2  -0.111920D+01  0.699808D+00  0.143614D+02 -0.556560D+00  0.701540D+01
      3  -0.126172D+02  0.492115D+01 -0.593649D+01  0.303055D+01 -0.443028D-01
                46            47            48            49            50 
      1  -0.833034D+01 -0.119989D+01  0.933894D+01 -0.125863D+01  0.671143D+01
      2  -0.238672D+02  0.383752D+01 -0.190750D+02  0.369615D+01 -0.852313D+00
      3  -0.887471D+01  0.101361D+02  0.298850D+01  0.179247D+02  0.525554D+01
                51            52            53            54            55 
      1   0.391285D+01  0.235329D+01  0.151937D+02 -0.311914D+01  0.495446D+01
      2   0.416954D+01 -0.275010D+02 -0.117329D+01 -0.846485D+01  0.196052D+02
      3   0.173413D+01  0.113999D+01  0.494549D+01 -0.130134D+01  0.334129D+01
                56            57            58            59            60 
      1   0.145936D+01 -0.204359D+01 -0.195814D+01 -0.237091D+01 -0.456860D+01
      2  -0.371828D+01  0.190181D+02 -0.134757D+02  0.572137D+01 -0.123965D+02
      3  -0.181600D+02 -0.163299D+00 -0.665220D+01  0.177923D+02 -0.306540D+01
                61            62            63            64            65 
      1   0.339601D+01 -0.649420D+00  0.202695D+01  0.646396D+01 -0.409865D+01
      2   0.159059D+02 -0.553335D+01  0.142528D+02  0.104989D+02 -0.108249D+02
      3  -0.230134D+00 -0.713978D+01  0.477763D+01  0.633119D+00 -0.195624D+02
                66            67            68            69            70 
      1  -0.788166D+01 -0.386840D+01  0.380239D+01 -0.413885D+01 -0.119801D+02
      2  -0.889506D+01 -0.976794D+01  0.305032D+00 -0.319728D+01 -0.176706D+02
      3   0.565756D+01 -0.712080D+01 -0.200008D+02  0.399957D+01  0.405378D+01
                71            72            73            74            75 
      1   0.238897D+01 -0.952176D+01  0.356870D+01 -0.373915D+01  0.394935D+01
      2   0.741502D+00 -0.121161D+02 -0.106184D+01  0.179590D+01 -0.942124D+01
      3   0.402296D+01  0.913346D+01  0.678289D+01 -0.171173D+02 -0.760234D+01
                76            77            78            79            80 
      1  -0.155964D+01 -0.318283D+01  0.432114D-01  0.770939D+01  0.581987D+01
      2   0.516250D+01  0.229813D+01 -0.531395D+01 -0.239137D+02 -0.838177D+01
      3  -0.743584D+01 -0.150638D+02  0.845487D-01 -0.774027D+01  0.118450D+01
                81            82            83            84            85 
      1  -0.155295D+01 -0.346960D+01  0.679014D+01 -0.262949D+01  0.971744D+01
      2   0.524773D+01  0.474075D+01 -0.308486D+01  0.248341D+01 -0.616971D+01
      3   0.161073D+01 -0.990608D+01  0.465815D+00  0.849554D+01  0.901065D+01
                86            87            88            89            90 
      1   0.965762D+01  0.149921D+01 -0.124593D+01  0.938994D+01 -0.139832D+01
      2  -0.399462D+01 -0.138529D+01 -0.178300D+01 -0.516540D+00  0.332643D+00
      3   0.628958D+01 -0.113124D+01  0.114051D+02 -0.836438D+00  0.688463D+01
                91            92            93            94            95 
      1   0.292087D+01 -0.283125D+01 -0.583361D+01  0.404694D+00  0.274653D+01
      2  -0.992610D+01 -0.177652D+00  0.867652D+01  0.565021D+00 -0.341100D+01
      3  -0.165706D+01 -0.206538D+02 -0.362761D+01 -0.850848D+01  0.177659D+01
                96            97            98            99           100 
      1  -0.396635D+00  0.496772D+01  0.117157D+02 -0.722077D+01 -0.348607D+01
      2  -0.500033D+01 -0.370664D+01 -0.110968D+02  0.140010D+02  0.841171D+01
      3   0.491269D+01 -0.267930D+01  0.643593D+01  0.131498D+02  0.387209D+01
               101           102           103           104           105 
      1   0.416622D+00 -0.338563D+01 -0.191557D+00 -0.523462D+00 -0.132196D+01
      2   0.113278D+01  0.932874D+01  0.105503D+01  0.143907D+01  0.135921D+01
      3  -0.386390D+01  0.209724D+01 -0.262078D+00  0.857301D+00 -0.156653D+01
               106           107           108           109           110 
      1  -0.373147D+01  0.493595D+00 -0.397717D+01  0.209566D+01  0.140396D+00
      2   0.714903D+01  0.276999D+01  0.945823D+01 -0.322374D+01 -0.240245D+01
      3   0.360624D+01 -0.492271D+01  0.718573D+00  0.408415D+00 -0.213406D+01
               111           112           113           114           115 
      1  -0.289492D+01  0.160972D+01  0.976919D+00 -0.246203D+01 -0.444477D+01
      2   0.751553D+01 -0.165697D+01 -0.444727D+01  0.448171D+01  0.104036D+02
      3   0.382792D+00 -0.693721D+00 -0.272363D+01  0.267818D+01  0.664999D+00
               116           117           118           119           120 
      1   0.887331D+00  0.730168D+01 -0.111554D+01  0.140066D+01 -0.300099D+00
      2   0.625836D+01 -0.171968D+02 -0.449333D+01  0.125875D+01  0.102007D+01
      3   0.664697D+01 -0.166695D+01  0.128500D+01 -0.178555D+01  0.695827D+00
               121           122           123           124           125 
      1   0.277454D+01  0.116689D+00  0.618908D+00  0.224011D+01  0.403753D+01
      2   0.557625D+01 -0.804880D+00 -0.810401D+00 -0.286294D+01 -0.878462D+00
      3   0.123968D+01 -0.121635D+00 -0.591621D+00  0.118994D+01 -0.157876D+01
               126           127           128           129           130 
      1  -0.262169D+01  0.262477D+01 -0.199023D+01  0.396522D+01 -0.157517D+01
      2   0.449763D+01 -0.245800D+01  0.877085D+00 -0.464760D+00  0.119762D+01
      3   0.132204D+01 -0.808928D+01  0.149011D+01 -0.452388D+01  0.356775D+01
               131           132           133           134           135 
      1   0.203233D+01 -0.390594D+01  0.273513D+01 -0.244337D+01  0.872327D+01
      2  -0.115196D+01  0.108917D+01 -0.327990D+01  0.204603D+01 -0.287145D+01
      3  -0.550714D+01  0.287039D+01 -0.750348D+01  0.444161D+01 -0.619306D+01
               136           137           138           139           140 
      1  -0.377905D+00 -0.665839D+00  0.281574D+00  0.309015D+00 -0.363200D+01
      2  -0.181131D+00 -0.572471D-01  0.515420D+00 -0.521612D+00  0.320405D+01
      3  -0.129662D+01  0.719161D+00  0.333222D+00  0.407359D+01 -0.104976D+02
               141           142           143           144           145 
      1  -0.644887D+01  0.348604D+00 -0.405451D+01 -0.692240D+01  0.399822D+01
      2   0.245334D+01 -0.213363D+01  0.353106D+01  0.363075D+01 -0.779238D+01
      3  -0.461918D+01  0.215395D+01 -0.604166D+01 -0.573550D+01  0.845448D+01
               146           147           148           149           150 
      1   0.574311D+01 -0.126024D+01  0.501109D+01  0.913366D+01 -0.163283D+01
      2  -0.527707D+01 -0.120026D+01 -0.611146D+01 -0.842466D+01 -0.176528D+01
      3   0.565797D+01  0.125822D+01  0.891925D+01  0.108219D+02  0.279934D+01
               151           152           153           154           155 
      1  -0.996513D+00  0.848120D+00  0.131138D+01 -0.402431D+01  0.555677D+01
      2  -0.147270D+01 -0.895218D+00 -0.889570D+00 -0.876877D+01  0.387118D+01
      3  -0.114542D+01 -0.116531D+00  0.153896D+01 -0.520533D+00  0.435797D+00
               156           157           158           159           160 
      1  -0.212567D+01  0.479765D+01 -0.835028D+01  0.259758D+01 -0.212173D+01
      2  -0.357791D+01  0.604702D+01 -0.595515D+01  0.558594D+01 -0.483130D+01
      3   0.717624D-01  0.276096D+01 -0.127559D+01  0.103411D+01 -0.490767D+00
               161           162           163           164           165 
      1   0.467903D+01 -0.405365D+01 -0.963264D+00 -0.185115D+01  0.217972D+01
      2   0.374860D+01 -0.537523D+01  0.321843D+01  0.350374D+00  0.387824D+01
      3   0.244424D+00 -0.122816D+01 -0.197122D+01 -0.263188D+01  0.294635D+00
               166           167           168           169           170 
      1  -0.350771D+00  0.108441D+01  0.235388D+00  0.107664D+01  0.256198D+01
      2  -0.120124D+01 -0.161448D+01  0.230807D-01 -0.335723D+01 -0.170460D-01
      3   0.379748D+00  0.201496D+01  0.145201D+01  0.182146D+01  0.167993D+01
               171           172           173           174           175 
      1  -0.272664D+01  0.277169D+01  0.112288D+01  0.427838D+01  0.843048D+00
      2  -0.315094D+01  0.313496D+01  0.578785D+00  0.669845D+01  0.102683D+01
      3  -0.785963D+00 -0.259492D+01 -0.749235D+00 -0.335584D+01  0.127158D+00
               176           177           178           179           180 
      1   0.243926D+01  0.200004D+01  0.523272D+01  0.407264D+01  0.120536D+02
      2   0.237974D+01  0.403656D+01  0.542740D+01  0.961161D-01  0.196109D+02
      3  -0.166238D+01 -0.331256D+01 -0.345044D+01 -0.532478D+01 -0.483016D+01
               181           182           183           184           185 
      1  -0.109545D+01 -0.490926D+00 -0.182190D+01 -0.425441D+00 -0.252710D+01
      2   0.119898D+01  0.315997D+01 -0.566275D+00  0.217026D+01  0.422768D+01
      3   0.933800D+01  0.135090D+02 -0.245075D+01  0.898968D+01  0.268181D+02
               186           187           188           189           190 
      1  -0.371783D+01  0.230171D+00 -0.119468D+00  0.125869D+01 -0.574757D+01
      2  -0.246487D+01 -0.515284D+00 -0.312283D+01  0.213850D+01 -0.985030D+01
      3  -0.437293D+01 -0.162271D+01 -0.317188D+01  0.312326D+01 -0.378984D+01
               191           192           193           194           195 
      1   0.237467D+01  0.489507D+01  0.253139D+01 -0.210018D+01 -0.204255D+01
      2   0.470221D+01  0.967312D+01  0.388141D+01 -0.323761D+01 -0.212320D+01
      3  -0.308252D+01  0.746853D+00 -0.459808D+00  0.435039D+01  0.456227D+00
               196           197           198           199           200 
      1   0.499833D+01 -0.939091D+00 -0.371332D+01  0.482020D+00 -0.120683D+01
      2   0.840638D+01 -0.340007D+01 -0.729036D+01 -0.606370D+00  0.135023D+01
      3   0.598470D+00  0.370479D+01 -0.122067D+01  0.804699D-01 -0.561085D-01
               201           202           203           204           205 
      1  -0.574079D+00 -0.228502D+01 -0.548652D+01 -0.170460D+01 -0.594952D+01
      2  -0.421195D+00  0.232276D+01  0.100051D+01  0.671489D+00 -0.266638D+01
      3   0.518762D-01  0.318780D+01 -0.269199D+01  0.186606D+00 -0.148803D+01
               206           207           208           209           210 
      1   0.202389D+01 -0.923307D+00  0.834908D+00  0.133627D-01 -0.223324D+00
      2   0.151079D+00  0.658268D+00  0.231105D+01 -0.302938D+00  0.419205D+00
      3   0.553632D+00 -0.901717D+00  0.389534D+01  0.633061D+00 -0.142231D+00
               211           212           213           214           215 
      1  -0.281394D+00  0.781325D+00 -0.350487D+01 -0.184665D+01  0.240887D+00
      2  -0.364563D+00  0.329473D+01 -0.215369D+01 -0.394799D+01 -0.203521D+01
      3   0.581296D+01  0.141801D+02 -0.256195D+01 -0.223158D+01 -0.306689D+01
               216           217           218           219           220 
      1   0.477090D+00 -0.341666D+00 -0.566219D+00  0.156238D+01 -0.131097D+01
      2   0.634816D+00 -0.127486D+01  0.971938D+00 -0.206590D+01  0.191711D+01
      3   0.180951D+01 -0.632645D+00  0.311810D+01 -0.196591D+01  0.599421D+00
               221           222           223           224           225 
      1   0.138314D+01 -0.283912D+01 -0.232072D+01 -0.360854D+01  0.125623D+02
      2  -0.364196D+01  0.460545D+01  0.104878D+01  0.892957D+01 -0.236702D+02
      3  -0.556212D+01  0.375840D+01  0.490922D-01  0.677988D+01 -0.914365D+01
               226           227           228           229           230 
      1  -0.225521D+01 -0.540025D+00 -0.220806D+01 -0.638846D+00 -0.631910D+00
      2   0.567291D+01  0.159787D+01  0.659823D+01  0.118955D+01  0.143650D+01
      3   0.427991D+01 -0.496256D+01  0.660284D+00  0.581198D+00 -0.104762D+01
               231           232           233           234           235 
      1  -0.142861D+01 -0.116889D+01 -0.807111D-01 -0.339649D+00 -0.416013D+00
      2   0.159769D+01  0.328924D+01  0.210281D+01  0.116168D+01  0.335688D+01
      3  -0.947029D+00  0.488340D+00 -0.194526D+01 -0.124320D+01 -0.559071D+01
               236           237           238           239           240 
      1   0.354090D+01  0.298832D+01  0.177117D+01 -0.493630D+01 -0.435619D+01
      2  -0.313509D+01 -0.318399D+01 -0.127155D+01  0.598621D+01  0.512946D+01
      3   0.118259D+02  0.496190D+01  0.624146D+01 -0.183243D+02 -0.671941D+01
               241           242           243 
      1   0.480602D-02 -0.444703D+01 -0.415650D+01
      2  -0.140586D+01  0.773948D+01  0.565722D+01
      3   0.335462D+01 -0.105361D+02 -0.934433D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.737491D+01  0.710786D+01  0.854188D+01  0.427395D+01  0.198017D+02
      2   0.507060D+01 -0.195327D+02 -0.118873D+02 -0.157027D+02 -0.109475D+02
      3  -0.124455D+02  0.124248D+02  0.334537D+01  0.114288D+02 -0.885430D+01
      4   0.812853D+01  0.660900D+01 -0.129864D+02  0.848059D+01 -0.264751D+01
      5   0.217157D+02 -0.130092D+02 -0.255528D+02 -0.131415D+02 -0.233271D+01
      6  -0.894309D+01 -0.711292D+01  0.118633D+02 -0.745102D+01 -0.656266D+01
                 6             7             8             9            10 
      1  -0.931259D+01  0.449275D+01 -0.117307D+02 -0.181014D+02 -0.819386D+01
      2  -0.463486D+00 -0.889338D+01  0.150384D+01  0.946143D+01  0.269485D+01
      3   0.977608D+01  0.440063D+01  0.102269D+02  0.863994D+01  0.549901D+01
      4   0.821608D+01 -0.152756D+02  0.763179D+01  0.368880D+01 -0.166294D+02
      5   0.103084D+01 -0.250056D+02  0.572024D+01  0.794122D+01 -0.114389D+02
      6  -0.396157D+01  0.114866D+02 -0.309014D+01  0.590198D+01  0.948708D+01
                11            12            13            14            15 
      1  -0.100253D+02 -0.101039D+01  0.537838D+00 -0.274172D+02  0.853999D+01
      2   0.129030D+02  0.816229D+00  0.177761D+01  0.135259D+02 -0.147466D+01
      3  -0.287767D+01  0.194164D+00 -0.231545D+01  0.138913D+02 -0.706533D+01
      4  -0.120860D+02  0.117490D+02 -0.181897D+02 -0.184978D+02 -0.699473D+01
      5   0.111907D+02  0.153029D+02  0.137793D+02 -0.232784D+01  0.563952D+01
      6  -0.768987D+01 -0.265704D+01 -0.267696D+01  0.109542D+02 -0.530295D+00
                16            17            18            19            20 
      1   0.936249D+00  0.144743D+02  0.147990D+02  0.451869D+02  0.905559D+01
      2  -0.789356D+01 -0.440379D+01 -0.112876D+02 -0.204925D+02 -0.101773D+02
      3   0.695731D+01 -0.100705D+02 -0.351140D+01 -0.246944D+02  0.112170D+01
      4   0.182412D+02 -0.147107D+02  0.134388D+01  0.127769D+02 -0.733178D+01
      5   0.240123D+02  0.112793D+01  0.970988D+01 -0.658853D+01 -0.248654D+01
      6  -0.414129D+01 -0.449697D+00 -0.814153D+01 -0.101548D+02 -0.953057D+00
                21            22            23            24            25 
      1   0.526521D+01 -0.453304D+00  0.253624D+01 -0.333185D+01  0.208902D+02
      2   0.194522D+01 -0.184909D+01 -0.586036D+01  0.746850D+00  0.846360D+01
      3  -0.721043D+01  0.230240D+01  0.332412D+01  0.258500D+01 -0.293538D+02
      4  -0.467727D+01 -0.513755D+01 -0.158174D+01  0.435603D+01 -0.130560D+02
      5  -0.695468D+01 -0.641589D+01  0.117083D+01  0.478745D+01 -0.182136D+02
      6   0.342017D+00 -0.994194D+00 -0.419450D+01  0.258853D+01 -0.148030D+01
                26            27            28            29            30 
      1  -0.838328D+01  0.122637D+02 -0.120151D+03  0.871219D+01 -0.121724D+02
      2   0.441477D+01  0.136370D+02  0.503771D+02 -0.527801D+01  0.465702D+01
      3   0.396851D+01 -0.259008D+02  0.697737D+02 -0.343418D+01  0.751534D+01
      4   0.102698D+02  0.186573D+01  0.145341D+02 -0.927517D+01  0.114730D+01
      5   0.498135D+01 -0.157782D+02 -0.115669D+01 -0.745465D+00 -0.852673D+01
      6   0.372419D+01  0.114579D+01  0.974732D+01  0.251720D+01  0.106776D+01
                31            32            33            34            35 
      1   0.470468D+02 -0.653402D+01  0.142459D+01 -0.422487D+02 -0.167440D+01
      2  -0.229688D+02  0.221249D+01  0.394804D+00  0.128556D+02  0.340180D+01
      3  -0.240780D+02  0.432153D+01 -0.181939D+01  0.293930D+02 -0.172739D+01
      4  -0.150034D+02 -0.331677D+01  0.789125D+00  0.652193D+01 -0.343842D+01
      5   0.713685D+01  0.192908D+01  0.148215D+01 -0.799604D+01  0.210723D+00
      6   0.980160D+00  0.884959D+01 -0.763179D+00  0.100784D+01  0.285462D+01
                36            37            38            39            40 
      1  -0.297692D+02  0.161057D+03 -0.236688D+02  0.276831D+02 -0.239502D+02
      2   0.443898D-01 -0.704374D+02  0.110184D+02 -0.984818D+01  0.789148D+01
      3   0.297248D+02 -0.906197D+02  0.126504D+02 -0.178350D+02  0.160587D+02
      4   0.427010D+01 -0.445028D+02  0.141416D+02 -0.545009D+01  0.161598D+02
      5  -0.123805D+02  0.211185D+02 -0.189990D+01  0.178375D+02  0.244809D+01
      6   0.313284D+01 -0.102107D+02 -0.133918D+01 -0.191054D+01 -0.756134D+00
                41            42            43            44            45 
      1   0.130772D+02 -0.765367D+01  0.404383D+02 -0.869642D+01  0.792046D+01
      2  -0.117765D+02  0.320739D+01 -0.184506D+02  0.727215D+01 -0.690787D+01
      3  -0.130064D+01  0.444627D+01 -0.219877D+02  0.142427D+01 -0.101258D+01
      4   0.138737D+02 -0.484610D+01 -0.575785D+01 -0.622301D+01 -0.575935D+01
      5  -0.650908D+01 -0.169102D+01  0.277710D+02 -0.593199D+01  0.583244D+01
      6   0.386489D+01  0.353447D+01 -0.842886D+01  0.636241D+01  0.881354D+00
                46            47            48            49            50 
      1  -0.147096D+03  0.367863D+02 -0.246856D+02  0.629776D+02 -0.238812D+02
      2   0.670408D+02 -0.168888D+02  0.136221D+02 -0.372845D+02  0.516528D+01
      3   0.800552D+02 -0.198975D+02  0.110635D+02 -0.256931D+02  0.187159D+02
      4   0.675543D+02 -0.352200D+02  0.156090D+02 -0.369615D+02 -0.130496D+02
      5  -0.388214D+02  0.116249D+02 -0.244761D+02  0.234554D+02 -0.719090D+00
      6   0.159031D+02 -0.565603D+01  0.227829D+01 -0.323316D+00  0.391576D+01
                51            52            53            54            55 
      1   0.149149D+02 -0.532825D+02  0.130001D+02 -0.143565D+02  0.169228D+03
      2  -0.119360D+02  0.254637D+02 -0.365434D+01  0.267071D+01 -0.824463D+02
      3  -0.297887D+01  0.278188D+02 -0.934580D+01  0.116858D+02 -0.867819D+02
      4  -0.627433D+00  0.284701D+02 -0.324567D+01  0.716790D+01 -0.673734D+02
      5   0.507563D+01 -0.698209D+01  0.510764D+01 -0.117616D+02  0.349174D+02
      6  -0.627888D+01  0.928332D+00  0.188134D+01  0.454639D+01 -0.874732D+01
                56            57            58            59            60 
      1  -0.395742D+02  0.257423D+02 -0.102373D+03  0.299982D+02 -0.142642D+02
      2   0.146918D+02 -0.156805D+02  0.421205D+02 -0.309743D+01  0.824781D+01
      3   0.248824D+02 -0.100618D+02  0.602528D+02 -0.269008D+02  0.601636D+01
      4   0.423255D+02 -0.117873D+02  0.700703D+02 -0.486490D+02  0.144414D+02
      5  -0.973073D+01  0.303101D+02 -0.236970D+02  0.117709D+02 -0.174530D+02
      6   0.387785D+01 -0.604267D+01  0.981601D+01 -0.576231D+01  0.116453D+02
                61            62            63            64            65 
      1   0.499553D+02 -0.623845D+01  0.255055D+02 -0.258923D+02  0.294364D+02
      2  -0.284748D+02  0.447214D+01 -0.193597D+02  0.763748D+01 -0.262977D+02
      3  -0.214805D+02  0.176631D+01 -0.614585D+01  0.182548D+02 -0.313870D+01
      4  -0.192010D+02  0.110613D+02 -0.210903D+02  0.253084D+02  0.616920D+01
      5   0.485385D+02 -0.196768D+02  0.304347D+02  0.143883D+02 -0.155866D+02
      6  -0.997022D+01  0.110754D+02 -0.819397D+01 -0.102943D+02  0.147076D+02
                66            67            68            69            70 
      1   0.980800D+01  0.203961D+02  0.289347D+02 -0.179833D+02  0.173797D+02
      2   0.577719D+01 -0.164231D+02 -0.262557D+02  0.113339D+02  0.524453D+01
      3  -0.155852D+02 -0.397295D+01 -0.267896D+01  0.664940D+01 -0.226242D+02
      4  -0.201424D+02  0.695895D+01  0.363249D+01  0.979346D+01 -0.266936D+02
      5  -0.181246D+02 -0.174261D+02  0.758111D+01 -0.108757D+02 -0.246349D+02
      6   0.630094D+01  0.119764D+02  0.175563D+00  0.336873D+01  0.887998D+01
                71            72            73            74            75 
      1  -0.210017D+02 -0.226869D+02 -0.178868D+01 -0.135731D+02 -0.208664D+02
      2   0.108274D+02  0.237676D+02  0.452953D+00  0.100308D+02  0.127186D+02
      3   0.101743D+02 -0.108070D+01  0.133573D+01  0.354233D+01  0.814777D+01
      4   0.143511D+02  0.285453D+01 -0.135601D+02  0.531897D+01 -0.120238D+01
      5  -0.422196D+01 -0.292849D+02 -0.965413D+01  0.320794D+01 -0.220487D+02
      6   0.332423D+01  0.714821D+01 -0.333594D+01  0.713057D+01 -0.684712D+01
                76            77            78            79            80 
      1  -0.155762D+02  0.173259D+02  0.670451D+01 -0.230385D+02  0.248868D+01
      2   0.162433D+02 -0.261819D+01 -0.505396D+01  0.137645D+02 -0.179085D+01
      3  -0.667099D+00 -0.147077D+02 -0.165055D+01  0.927399D+01 -0.697834D+00
      4   0.131246D+02  0.346381D+02  0.434275D+01  0.581098D+01  0.949500D+01
      5   0.102888D+02 -0.173330D+01 -0.114855D+02 -0.367681D+02 -0.155232D+02
      6   0.299833D+01 -0.642863D+00 -0.427718D+01 -0.132963D+02 -0.577695D+01
                81            82            83            84            85 
      1  -0.232667D+02 -0.179374D+02 -0.134581D+01  0.144354D+02  0.148799D+01
      2   0.156028D+02  0.159543D+02  0.701819D+01 -0.140189D+02  0.223713D+01
      3   0.766392D+01  0.198308D+01 -0.567238D+01 -0.416472D+00 -0.372511D+01
      4  -0.205748D+02  0.679582D+00  0.103375D+02  0.254128D+01  0.978699D+01
      5   0.993111D+01  0.668532D+01 -0.285679D+01  0.168350D+01 -0.614767D+01
      6   0.830803D+01  0.924382D+01 -0.639038D+01  0.331071D+01 -0.421881D+01
                86            87            88            89            90 
      1   0.113924D+02  0.505105D+01  0.172417D+02  0.108233D+02  0.147090D+02
      2  -0.650058D+01 -0.889607D+01 -0.164731D+02 -0.172712D+02 -0.168469D+02
      3  -0.489177D+01  0.384502D+01 -0.768581D+00  0.644789D+01  0.213790D+01
      4  -0.456478D+01 -0.127932D+02  0.160329D+01 -0.182383D+02 -0.285494D+01
      5  -0.658509D+01 -0.348371D+01  0.364575D+01 -0.521237D+01 -0.207171D+00
      6  -0.176922D+02 -0.142226D+02  0.337688D+01 -0.194899D+02 -0.279051D+01
                91            92            93            94            95 
      1  -0.608417D+02 -0.294798D+02 -0.146697D+02 -0.120830D+02  0.194293D+02
      2   0.264211D+02  0.230833D+02  0.112515D+02  0.133509D+02 -0.419601D+01
      3   0.344206D+02  0.639658D+01  0.341821D+01 -0.126790D+01 -0.152333D+02
      4  -0.255770D+02  0.167790D+02 -0.542761D+01  0.203041D+02  0.159712D+02
      5  -0.128669D+02 -0.256594D+01  0.122716D+02 -0.210775D+01 -0.783891D+01
      6  -0.605476D+01  0.208478D+01  0.760531D+01 -0.236708D+00 -0.883132D+01
                96            97            98            99           100 
      1   0.288079D+01 -0.218844D+02  0.396052D+00  0.203510D+02  0.515208D+02
      2  -0.754772D+01  0.116461D+02 -0.103197D+02 -0.839321D+01 -0.267807D+02
      3   0.466693D+01  0.102383D+02  0.992369D+01 -0.119577D+02 -0.247402D+02
      4  -0.632440D+01 -0.642459D+01 -0.565316D+01 -0.134842D+02  0.232463D+02
      5  -0.921775D+01  0.362855D+01 -0.159709D+02  0.253227D+02  0.232344D+02
      6  -0.380531D+01  0.205127D+01 -0.113297D+02  0.132670D+02  0.545615D+01
               101           102           103           104           105 
      1   0.955161D+01  0.193556D+02  0.297793D+01  0.442330D+01 -0.578886D+00
      2  -0.297113D+01 -0.106791D+02  0.225041D+00 -0.117815D+01  0.170001D+01
      3  -0.658048D+01 -0.867645D+01 -0.320297D+01 -0.324516D+01 -0.112112D+01
      4   0.129458D+02  0.772393D+01  0.104850D+02  0.408532D+01  0.531065D+01
      5   0.365396D+01  0.186060D+02  0.152325D+01  0.540808D+01  0.300003D+01
      6   0.169984D+01  0.521415D+01  0.240459D+01  0.251337D+01  0.375684D+01
               106           107           108           109           110 
      1   0.307901D+02  0.308771D+01  0.172257D+02  0.228821D+02  0.844192D+01
      2  -0.176907D+02  0.513284D+00 -0.128379D+02 -0.131451D+02 -0.400370D+01
      3  -0.130994D+02 -0.360099D+01 -0.438775D+01 -0.973694D+01 -0.443822D+01
      4   0.140930D+02  0.105242D+02  0.117805D+02  0.177651D+02  0.104001D+02
      5   0.259739D+02  0.742360D+01  0.208955D+02 -0.171722D+02 -0.716623D+01
      6   0.747970D+01  0.468282D+01  0.623757D+01 -0.754955D+01 -0.426532D+01
               111           112           113           114           115 
      1  -0.824027D+01  0.672870D+01 -0.916744D+00 -0.998955D+00 -0.160403D+02
      2   0.568018D+01 -0.215051D+01  0.371242D+01 -0.903370D+00  0.119890D+02
      3   0.256009D+01 -0.457819D+01 -0.279568D+01  0.190232D+01  0.405122D+01
      4  -0.907899D+01  0.133426D+02  0.103550D+02 -0.110956D+02 -0.203486D+02
      5   0.178961D+02 -0.774897D+01 -0.971047D+01  0.913167D+01  0.317960D+02
      6   0.637208D+01 -0.637915D+01 -0.710009D+01  0.844631D+01  0.136537D+02
               116           117           118           119           120 
      1  -0.274644D+01  0.866054D+01 -0.330916D+01  0.307452D+00 -0.163910D+01
      2   0.510242D-01 -0.136661D+02 -0.487222D+01  0.823482D+00 -0.420085D+01
      3   0.269542D+01  0.500554D+01  0.818138D+01 -0.113093D+01  0.583995D+01
      4  -0.184425D+02  0.192091D+02 -0.239238D-01  0.386087D+01  0.469152D+00
      5   0.150666D+02 -0.361250D+02  0.861214D+01 -0.881688D+00  0.118478D+02
      6   0.114373D+02 -0.172556D+02  0.647057D+00  0.125772D+01  0.200119D+00
               121           122           123           124           125 
      1   0.700247D+01 -0.468264D+01  0.276740D+01 -0.994246D+01  0.234298D+00
      2  -0.191946D+01 -0.364151D+00  0.131369D+01 -0.601078D+01  0.335912D+01
      3  -0.508301D+01  0.504679D+01 -0.408109D+01  0.159532D+02 -0.359342D+01
      4   0.413896D+01  0.639076D+00  0.295867D+01  0.130136D+01  0.373233D+01
      5  -0.137958D+01  0.303133D+01 -0.221704D+01  0.175961D+02 -0.271120D+01
      6   0.147334D+01 -0.145244D+01  0.691152D+01  0.146041D+01  0.448825D+01
               126           127           128           129           130 
      1  -0.245643D+02 -0.304103D+01  0.754730D+01 -0.552228D+01  0.465092D+01
      2  -0.189202D+02  0.286339D+01 -0.968345D+01  0.502273D+01 -0.535205D+01
      3   0.434844D+02  0.177641D+00  0.213615D+01  0.499543D+00  0.701129D+00
      4  -0.462777D+00 -0.519055D+01  0.344589D+00 -0.238703D+01  0.211523D+01
      5   0.234548D+02 -0.488868D+00  0.527069D+00 -0.816962D+00  0.559437D+00
      6   0.909723D+00 -0.574283D+01  0.383727D+01 -0.572363D+01  0.260656D+01
               131           132           133           134           135 
      1  -0.131179D+02  0.520744D+01 -0.901013D+01  0.962988D+01 -0.135560D+02
      2   0.155438D+02 -0.533556D+01  0.610030D+01 -0.105906D+02  0.926502D+01
      3  -0.242590D+01  0.128118D+00  0.290983D+01  0.960671D+00  0.429097D+01
      4   0.208992D+00  0.817532D+00 -0.486569D+01 -0.691358D+00 -0.805305D+00
      5  -0.831692D+00  0.169850D+01 -0.258882D+00  0.259267D+01 -0.410980D+01
      6  -0.495590D+01  0.858494D+01 -0.446673D+01  0.112477D+02 -0.131105D+02
               136           137           138           139           140 
      1  -0.121217D+01  0.367383D+01  0.523805D+00  0.197165D+01 -0.311215D+02
      2   0.278659D+01 -0.201558D+01  0.465665D+00  0.667052D+00  0.413773D+02
      3  -0.157441D+01 -0.165825D+01 -0.989470D+00 -0.263871D+01 -0.102558D+02
      4   0.538485D+01  0.794779D+01  0.342939D+01  0.811841D+01  0.207794D+02
      5   0.109039D+01  0.319745D+01  0.351868D+01  0.257574D+01  0.903165D+01
      6   0.359218D+01  0.104981D+01 -0.225944D+00  0.198635D+01  0.268907D+02
               141           142           143           144           145 
      1  -0.150315D+02 -0.446391D+00 -0.214297D+02 -0.181867D+02 -0.775501D+01
      2   0.166012D+02  0.253541D+01  0.224252D+02  0.130265D+02  0.691791D+01
      3  -0.156966D+01 -0.208902D+01 -0.995436D+00  0.516022D+01  0.837103D+00
      4   0.976959D+01  0.498067D+01  0.147508D+02  0.929023D+01  0.258887D+01
      5   0.607096D+01  0.340342D+01  0.964794D+01  0.844357D+01  0.370208D+01
      6   0.190459D+02  0.125074D+01  0.253206D+02  0.217458D+02  0.593144D+01
               146           147           148           149           150 
      1  -0.108612D+02 -0.639193D+01 -0.896687D+01 -0.219529D+02 -0.681763D+01
      2   0.118500D+02  0.186775D+01  0.105235D+02  0.248842D+02  0.200757D+01
      3  -0.988740D+00  0.452418D+01 -0.155659D+01 -0.293129D+01  0.481006D+01
      4   0.147828D+00  0.108165D+01  0.214564D+01 -0.615608D+01 -0.249314D+01
      5   0.448730D+01  0.264528D+01  0.615714D+01  0.257372D+01 -0.232260D+01
      6   0.968522D+01  0.364141D+01  0.691131D+01  0.178016D+02  0.915098D+01
               151           152           153           154           155 
      1  -0.193292D+01 -0.100004D+01 -0.223928D+01 -0.631583D+01  0.273975D+01
      2  -0.151610D+00 -0.178858D+01  0.107541D+01 -0.173170D+01  0.305078D+01
      3   0.208453D+01  0.278862D+01  0.116387D+01  0.804754D+01 -0.579052D+01
      4   0.101078D+01  0.439102D+00 -0.532195D+00  0.265341D+01 -0.284328D+01
      5   0.278254D+01 -0.403255D+00  0.244126D+00  0.173692D+01 -0.652512D+00
      6   0.172008D+01  0.515426D+01  0.209140D+01 -0.225285D+01  0.534740D+01
               156           157           158           159           160 
      1  -0.901475D+01  0.453054D+01 -0.927426D+01  0.103581D+02 -0.536181D+01
      2  -0.204525D+01  0.124843D+01  0.151675D+01  0.435058D+01 -0.127135D+01
      3   0.110600D+02 -0.577897D+01  0.775751D+01 -0.147087D+02  0.663315D+01
      4   0.333109D+01 -0.337746D+01  0.733637D+01 -0.440505D+01  0.326568D+01
      5   0.351153D+01 -0.172550D+01  0.441707D+00  0.400527D+01  0.492080D+01
      6  -0.289460D+01  0.416611D+01 -0.879390D+01  0.579619D+01 -0.317571D+01
               161           162           163           164           165 
      1   0.634971D+01 -0.100731D+02  0.161307D+02 -0.183168D+01 -0.370051D+01
      2   0.251901D+01 -0.669626D+01 -0.177306D+02  0.337992D+01  0.154132D+02
      3  -0.886872D+01  0.167693D+02  0.159989D+01 -0.154825D+01 -0.117127D+02
      4  -0.314685D+01  0.376882D+01 -0.136645D+02  0.100144D+02  0.102701D+02
      5  -0.131244D+00 -0.216774D+01 -0.337243D+02  0.108032D+02  0.313870D+02
      6   0.605973D+01 -0.471353D+01  0.895537D+01 -0.742385D+01 -0.101179D+02
               166           167           168           169           170 
      1  -0.130339D+01 -0.179351D+01 -0.125921D+01 -0.410722D+01 -0.989169D+00
      2   0.191443D+01  0.152787D+00 -0.431378D+00  0.130611D+02 -0.200638D+01
      3  -0.611041D+00  0.164072D+01  0.169059D+01 -0.895389D+01  0.299555D+01
      4   0.762845D+01 -0.605978D+01 -0.736724D+01  0.836187D+01 -0.612376D+01
      5   0.653066D+01 -0.758782D+01 -0.616325D+01  0.251631D+02 -0.865354D+01
      6  -0.517861D+01  0.636285D+01  0.833825D+01 -0.781339D+01  0.750252D+01
               171           172           173           174           175 
      1  -0.254559D+01  0.161545D+02 -0.261704D+01  0.990554D+01  0.482007D+01
      2  -0.167487D+02 -0.118552D+02  0.130210D+01 -0.107196D+02 -0.348471D+01
      3   0.192943D+02 -0.429926D+01  0.131494D+01  0.814106D+00 -0.133536D+01
      4  -0.873617D+01 -0.628423D+01  0.330606D+01 -0.145328D+01  0.970731D+00
      5  -0.294427D+02  0.147124D+02  0.101795D+01  0.193854D+02  0.636622D+01
      6   0.107226D+02 -0.309707D+01  0.820144D-01 -0.561722D+01 -0.306323D+00
               176           177           178           179           180 
      1  -0.183304D+01  0.478351D+01  0.129255D+02  0.261298D+01  0.859891D+01
      2  -0.127237D+00 -0.724695D+01 -0.142938D+02 -0.487482D+01 -0.241373D+02
      3   0.196027D+01  0.246343D+01  0.136829D+01  0.226184D+01  0.155383D+02
      4   0.367471D+01  0.433597D+01 -0.487827D+01  0.833378D+01 -0.515500D+01
      5   0.477052D+01  0.888071D+01  0.267493D+02 -0.108573D+01  0.466290D+02
      6   0.687112D-01  0.180629D+01 -0.829738D+01  0.530579D+01 -0.165160D+02
               181           182           183           184           185 
      1  -0.852215D+01 -0.206333D+02  0.233936D+01 -0.141660D+02 -0.344400D+02
      2   0.894978D+01  0.227985D+02 -0.272188D+01  0.108427D+02  0.468635D+02
      3  -0.427624D+00 -0.216527D+01  0.382521D+00  0.332333D+01 -0.124234D+02
      4   0.514783D+00 -0.707229D+01  0.346071D+01  0.503286D+01 -0.273562D+02
      5  -0.307668D+01  0.185090D+01 -0.936344D+00 -0.795951D+00  0.246379D+01
      6  -0.107109D+01 -0.654721D+01  0.441483D+01 -0.256638D+01 -0.121861D+02
               186           187           188           189           190 
      1   0.679469D+01 -0.399109D+00  0.654323D+01 -0.372694D+01  0.619096D+02
      2  -0.611776D+01 -0.136723D+01 -0.435129D+01  0.280923D+01 -0.243737D+02
      3  -0.676929D+00  0.176634D+01 -0.219194D+01  0.917709D+00 -0.375360D+02
      4   0.358183D+01  0.250960D+01  0.989541D+00 -0.339493D+01 -0.417114D+02
      5  -0.397763D+01  0.302087D+01 -0.358615D+01  0.429427D+01 -0.144166D+02
      6   0.823608D+01  0.856890D+00  0.823564D+01 -0.429459D+01  0.710266D+01
               191           192           193           194           195 
      1  -0.201548D+02 -0.145491D+02 -0.119424D+02  0.532973D+01  0.401157D+01
      2   0.425426D+01  0.462889D+01  0.141374D+00  0.513343D+01 -0.280367D-01
      3   0.159006D+02  0.992021D+01  0.118010D+02 -0.104632D+02 -0.398354D+01
      4   0.236735D+02  0.103575D+02  0.202281D+02 -0.170534D+02 -0.697223D+01
      5   0.570787D+01  0.149107D+02  0.483913D+01 -0.506693D+01 -0.233434D+01
      6  -0.390220D+01 -0.696091D+01 -0.374941D+01  0.214846D+01  0.316579D+01
               196           197           198           199           200 
      1  -0.273269D+02  0.912862D+01  0.126308D+02  0.604162D+00  0.157712D+01
      2   0.904968D+01 -0.109549D+00 -0.756162D+01 -0.880497D+00 -0.237243D-01
      3   0.182772D+02 -0.901907D+01 -0.506915D+01  0.276335D+00 -0.155340D+01
      4   0.228343D+02 -0.171450D+02 -0.100072D+02  0.383408D+01  0.561183D+01
      5   0.183378D+02 -0.675634D+01 -0.121477D+02 -0.130964D+01 -0.199345D+01
      6  -0.867667D+01  0.459470D+01  0.674063D+01 -0.245300D+01 -0.661578D+00
               201           202           203           204           205 
      1  -0.145168D+01  0.214890D+01 -0.131575D+02  0.611097D+01 -0.147853D+01
      2   0.582616D+00 -0.574548D+00  0.130276D+02 -0.261821D+01  0.299484D+01
      3   0.869064D+00 -0.157435D+01  0.129959D+00 -0.349276D+01 -0.151631D+01
      4  -0.110847D+01  0.506373D+01  0.886299D+01 -0.299887D+01 -0.138460D+01
      5   0.138237D+01 -0.231609D+01 -0.385075D+01  0.250136D+01  0.205895D+01
      6   0.543979D+00 -0.590918D+00 -0.110377D+02  0.638417D+01  0.214954D+01
               206           207           208           209           210 
      1   0.492454D+01 -0.113044D+01 -0.123596D+01 -0.160511D+01  0.345318D+00
      2  -0.245748D+01  0.769644D+00  0.285683D+01  0.973193D+00 -0.766019D-01
      3  -0.246706D+01  0.360795D+00 -0.162087D+01  0.631918D+00 -0.268716D+00
      4  -0.126501D+01  0.460963D+00 -0.135863D+01  0.525291D+01 -0.100919D+01
      5   0.168748D+01 -0.189831D+00  0.858510D+00 -0.502831D+00  0.754602D+00
      6   0.475822D+01 -0.358657D+01 -0.525509D+00  0.119073D+01 -0.135358D+00
               211           212           213           214           215 
      1  -0.521598D+01 -0.210984D+02  0.318218D+01  0.238892D+01  0.477118D+01
      2   0.239236D+01  0.271144D+02 -0.317348D+01 -0.313047D+00 -0.502121D+01
      3   0.282361D+01 -0.601597D+01 -0.869389D-02 -0.207587D+01  0.250030D+00
      4   0.328645D+01 -0.205090D+02  0.307308D+01 -0.143586D+01  0.511886D+01
      5  -0.535667D+00  0.229980D+01 -0.248987D+01 -0.842694D+00 -0.239397D+01
      6   0.446565D+00 -0.183787D+01  0.464638D+01  0.143028D+01  0.392132D+01
               216           217           218           219           220 
      1  -0.414060D+01  0.560953D+01  0.650337D+01 -0.630708D+01  0.510867D+01
      2   0.339313D+01 -0.404983D+01 -0.488547D+01  0.211228D+01 -0.234432D+01
      3   0.747475D+00 -0.155970D+01 -0.161790D+01  0.419479D+01 -0.276435D+01
      4  -0.280307D+01  0.226662D+01 -0.331625D+01 -0.981536D+00  0.318500D+01
      5   0.165103D+01 -0.324791D+01  0.505543D+00 -0.550698D+00 -0.353153D+00
      6  -0.224441D+01 -0.232291D+01  0.119016D+01 -0.274610D+01 -0.120830D+01
               221           222           223           224           225 
      1  -0.785800D+01  0.490780D+01 -0.883863D+01  0.485134D+01 -0.170144D+02
      2   0.641948D+01 -0.387771D+01  0.479704D+01 -0.258458D+01 -0.393895D+01
      3   0.143852D+01 -0.103009D+01  0.404159D+01 -0.226677D+01  0.209534D+02
      4   0.859874D+01 -0.663517D+01 -0.104359D+02 -0.160611D+02  0.144470D+02
      5  -0.715148D+01  0.867774D+01  0.975171D+01  0.166158D+02 -0.439736D+02
      6  -0.589084D+01  0.976585D+01  0.373714D+01  0.136868D+02 -0.239495D+02
               226           227           228           229           230 
      1   0.880096D+02  0.207536D+02  0.652317D+01  0.809703D+01  0.817021D+01
      2  -0.400241D+02 -0.595532D+01 -0.289846D+01  0.296365D+00 -0.672842D+00
      3  -0.479855D+02 -0.147983D+02 -0.362471D+01 -0.839340D+01 -0.749737D+01
      4   0.433590D+02  0.222075D+02  0.356493D+01  0.154151D+02  0.977377D+01
      5   0.374707D+01  0.126378D+01  0.120337D+02  0.898105D+00  0.197125D+01
      6   0.306017D+01  0.627054D+00  0.410199D+01  0.649551D-01  0.124897D+01
               231           232           233           234           235 
      1   0.395787D+00  0.127063D+02  0.278231D+01  0.784339D+01 -0.515137D+01
      2   0.100638D+01 -0.616427D+01  0.217351D+00 -0.469666D+01  0.518374D+01
      3  -0.140216D+01 -0.654203D+01 -0.299966D+01 -0.314673D+01 -0.323641D-01
      4   0.240793D+01  0.713309D+01  0.504305D+01  0.674890D+01 -0.604354D+00
      5   0.235769D+01  0.125166D+02  0.528329D+01  0.246791D+01  0.451564D+01
      6   0.221676D+01  0.411424D+01  0.323961D+01  0.704933D+00  0.362928D+01
               236           237           238           239           240 
      1   0.153285D+02  0.918175D+01  0.151971D+02 -0.215024D+02 -0.867639D+01
      2  -0.155411D+02 -0.649918D+01 -0.966558D+01  0.272703D+02  0.993990D+01
      3   0.212540D+00 -0.268257D+01 -0.553152D+01 -0.576789D+01 -0.126351D+01
      4  -0.100055D+02 -0.233776D+00  0.304641D+01  0.211263D+02  0.643102D+01
      5  -0.215150D+01 -0.527958D+01 -0.276742D+01  0.780142D+01  0.937189D+01
      6  -0.434366D+01 -0.537787D+01 -0.212247D+01  0.895541D+01  0.846731D+01
               241           242           243 
      1   0.104789D+02 -0.100807D+02 -0.131616D+02
      2  -0.523196D+01  0.123744D+02  0.846429D+01
      3  -0.524689D+01 -0.229368D+01  0.469733D+01
      4   0.361977D+01  0.126441D+02  0.876377D+01
      5  -0.547023D+00  0.109079D+02  0.738840D+01
      6  -0.172235D+01  0.115225D+02  0.812171D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:04:01 2021, MaxMem=  5368709120 cpu:           10394.3 elap:            1302.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12646 -10.27437 -10.21362 -10.20816 -10.20282
 Alpha  occ. eigenvalues --  -10.19413 -10.19069 -10.19030 -10.18809 -10.18414
 Alpha  occ. eigenvalues --  -10.18277  -1.02945  -0.87150  -0.80088  -0.75069
 Alpha  occ. eigenvalues --   -0.73347  -0.69360  -0.68213  -0.62045  -0.59780
 Alpha  occ. eigenvalues --   -0.53923  -0.52442  -0.49109  -0.48386  -0.47844
 Alpha  occ. eigenvalues --   -0.45375  -0.44640  -0.43558  -0.42753  -0.41670
 Alpha  occ. eigenvalues --   -0.40178  -0.40045  -0.38733  -0.38026  -0.36939
 Alpha  occ. eigenvalues --   -0.36590  -0.34475  -0.33215  -0.32415  -0.30873
 Alpha  occ. eigenvalues --   -0.27353  -0.25443
 Alpha virt. eigenvalues --   -0.06216   0.00509   0.02514   0.02736   0.03343
 Alpha virt. eigenvalues --    0.04700   0.05158   0.05924   0.05979   0.06870
 Alpha virt. eigenvalues --    0.07798   0.07898   0.09225   0.09708   0.10279
 Alpha virt. eigenvalues --    0.10491   0.10828   0.11574   0.11789   0.12500
 Alpha virt. eigenvalues --    0.12540   0.13312   0.14398   0.15042   0.15225
 Alpha virt. eigenvalues --    0.15634   0.16272   0.16878   0.17388   0.17881
 Alpha virt. eigenvalues --    0.19027   0.19857   0.20416   0.20761   0.21008
 Alpha virt. eigenvalues --    0.22017   0.22203   0.23469   0.24268   0.24686
 Alpha virt. eigenvalues --    0.25583   0.25828   0.26539   0.27193   0.28053
 Alpha virt. eigenvalues --    0.28875   0.28942   0.30074   0.30525   0.31015
 Alpha virt. eigenvalues --    0.31485   0.31806   0.32168   0.32288   0.32807
 Alpha virt. eigenvalues --    0.33335   0.33587   0.33851   0.34214   0.34518
 Alpha virt. eigenvalues --    0.34887   0.35329   0.35597   0.35972   0.36461
 Alpha virt. eigenvalues --    0.36967   0.37365   0.37609   0.37912   0.38306
 Alpha virt. eigenvalues --    0.39129   0.39710   0.39901   0.40621   0.40960
 Alpha virt. eigenvalues --    0.41408   0.42157   0.42244   0.42570   0.42620
 Alpha virt. eigenvalues --    0.43123   0.43548   0.44864   0.45351   0.45566
 Alpha virt. eigenvalues --    0.46292   0.46369   0.46854   0.47148   0.47845
 Alpha virt. eigenvalues --    0.48351   0.48798   0.49389   0.50097   0.50434
 Alpha virt. eigenvalues --    0.50630   0.51090   0.51702   0.52042   0.52168
 Alpha virt. eigenvalues --    0.52841   0.53725   0.53855   0.54242   0.55203
 Alpha virt. eigenvalues --    0.55906   0.56291   0.56746   0.57033   0.57428
 Alpha virt. eigenvalues --    0.58127   0.58299   0.59437   0.60110   0.60810
 Alpha virt. eigenvalues --    0.61214   0.61773   0.62371   0.62641   0.63310
 Alpha virt. eigenvalues --    0.64258   0.64632   0.65283   0.66492   0.67031
 Alpha virt. eigenvalues --    0.67526   0.68287   0.68648   0.70196   0.70513
 Alpha virt. eigenvalues --    0.71163   0.72052   0.73691   0.73966   0.74441
 Alpha virt. eigenvalues --    0.75110   0.75894   0.76514   0.77782   0.78801
 Alpha virt. eigenvalues --    0.79699   0.79937   0.82194   0.83713   0.84265
 Alpha virt. eigenvalues --    0.87437   0.89782   0.90441   0.91304   0.92556
 Alpha virt. eigenvalues --    0.93840   0.94881   0.96198   0.96831   0.97258
 Alpha virt. eigenvalues --    0.98214   0.98711   0.99210   1.00529   1.00884
 Alpha virt. eigenvalues --    1.01616   1.02636   1.03665   1.04510   1.05288
 Alpha virt. eigenvalues --    1.05694   1.06724   1.07085   1.09153   1.10271
 Alpha virt. eigenvalues --    1.11909   1.15602   1.16226   1.18444   1.19180
 Alpha virt. eigenvalues --    1.19676   1.21699   1.23226   1.23862   1.24993
 Alpha virt. eigenvalues --    1.25441   1.26756   1.27224   1.29442   1.30107
 Alpha virt. eigenvalues --    1.32428   1.33656   1.35352   1.36425   1.37212
 Alpha virt. eigenvalues --    1.37844   1.40545   1.42023   1.43518   1.44019
 Alpha virt. eigenvalues --    1.47592   1.48648   1.51516   1.53511   1.54126
 Alpha virt. eigenvalues --    1.56767   1.57192   1.57870   1.60342   1.62050
 Alpha virt. eigenvalues --    1.62517   1.63402   1.65451   1.65865   1.67128
 Alpha virt. eigenvalues --    1.68633   1.70829   1.72276   1.74224   1.75021
 Alpha virt. eigenvalues --    1.75665   1.77750   1.78774   1.80850   1.82441
 Alpha virt. eigenvalues --    1.82915   1.84418   1.86050   1.86298   1.87913
 Alpha virt. eigenvalues --    1.88764   1.90532   1.92148   1.92911   1.93735
 Alpha virt. eigenvalues --    1.95368   1.98056   1.98857   2.00590   2.01216
 Alpha virt. eigenvalues --    2.02438   2.03749   2.05091   2.05492   2.06159
 Alpha virt. eigenvalues --    2.06575   2.08725   2.10410   2.11928   2.13960
 Alpha virt. eigenvalues --    2.15899   2.17724   2.18944   2.19643   2.21231
 Alpha virt. eigenvalues --    2.21855   2.24327   2.25072   2.26311   2.27083
 Alpha virt. eigenvalues --    2.28459   2.28833   2.30660   2.31846   2.34261
 Alpha virt. eigenvalues --    2.37309   2.39725   2.40674   2.41785   2.43269
 Alpha virt. eigenvalues --    2.44645   2.47017   2.48053   2.51575   2.51877
 Alpha virt. eigenvalues --    2.55243   2.55502   2.56908   2.58688   2.61130
 Alpha virt. eigenvalues --    2.62582   2.64320   2.66938   2.68627   2.70195
 Alpha virt. eigenvalues --    2.71807   2.72875   2.75680   2.78399   2.82223
 Alpha virt. eigenvalues --    2.86190   2.89241   2.91471   2.92214   2.93802
 Alpha virt. eigenvalues --    2.98155   3.00685   3.02613   3.03733   3.05462
 Alpha virt. eigenvalues --    3.07822   3.11173   3.13045   3.13814   3.14438
 Alpha virt. eigenvalues --    3.16813   3.19092   3.20396   3.20806   3.22506
 Alpha virt. eigenvalues --    3.27463   3.38634   3.47905   3.83697
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.308202  -0.859031   0.037961  -0.178206   0.009732   0.002909
     2  C   -0.859031  12.420868  -0.577104   0.164319  -0.001239   0.007715
     3  C    0.037961  -0.577104   6.998900  -1.048585   0.126382   0.025784
     4  C   -0.178206   0.164319  -1.048585   9.394286  -0.477205  -0.006021
     5  C    0.009732  -0.001239   0.126382  -0.477205   8.950737  -0.725236
     6  C    0.002909   0.007715   0.025784  -0.006021  -0.725236   6.368260
     7  O   -0.000317   0.002518  -0.008184   0.077462  -0.089398   0.299713
     8  C   -0.265173  -1.074071  -0.024277  -0.013824  -0.009087   0.000076
     9  C    0.060178  -0.415342   0.077039  -0.010549  -0.009794   0.000986
    10  C   -0.064849   0.148101  -0.128000   0.105388  -0.073768   0.008605
    11  C   -0.001175   0.002639   0.025516  -0.121352   0.049570   0.494338
    12  H    0.094368  -0.089002   0.103178  -0.013903   0.009454   0.000056
    13  H   -0.141731  -0.056095   0.041886  -0.017364   0.002527  -0.000047
    14  H    0.081080  -0.046444   0.007747  -0.185567   0.033020   0.000554
    15  H    0.032101   0.058697   0.127326  -0.152856   0.041764   0.000820
    16  H   -0.023226  -0.047270   0.086528   0.051244  -0.037870   0.003769
    17  H   -0.199930   0.242515  -0.036226   0.063245   0.005116  -0.001717
    18  H    0.208234   0.300178  -0.094017  -0.038903  -0.007509  -0.007047
    19  H   -0.133883   0.235099   0.019418  -0.005073   0.002709   0.000487
    20  H   -0.000518  -0.066128  -0.070333   0.005350  -0.001949   0.000017
    21  H    0.010439   0.280776   0.056186  -0.014710  -0.000230   0.000512
    22  H    0.040146   0.275188   0.021680   0.002577   0.000118   0.000021
    23  H    0.076076  -0.135380  -0.308441  -0.981582  -0.747587  -0.179030
    24  H    0.011712  -0.040016   0.040055  -0.611565  -0.302692  -0.434621
    25  H   -0.000046   0.000490  -0.000151   0.012246  -0.075234   0.139115
    26  H    0.000069  -0.000086  -0.000933   0.047586   0.057605   0.127452
    27  H    0.000818   0.000896   0.002333  -0.002234  -0.044123   0.112321
               7          8          9         10         11         12
     1  C   -0.000317  -0.265173   0.060178  -0.064849  -0.001175   0.094368
     2  C    0.002518  -1.074071  -0.415342   0.148101   0.002639  -0.089002
     3  C   -0.008184  -0.024277   0.077039  -0.128000   0.025516   0.103178
     4  C    0.077462  -0.013824  -0.010549   0.105388  -0.121352  -0.013903
     5  C   -0.089398  -0.009087  -0.009794  -0.073768   0.049570   0.009454
     6  C    0.299713   0.000076   0.000986   0.008605   0.494338   0.000056
     7  O    8.161887   0.000037  -0.000132   0.002338  -0.010966  -0.000023
     8  C    0.000037   5.897259  -0.124778   0.042217   0.000368  -0.100269
     9  C   -0.000132  -0.124778   4.897606   0.120338   0.000100   0.124861
    10  C    0.002338   0.042217   0.120338   5.072174   0.000878  -0.168234
    11  C   -0.010966   0.000368   0.000100   0.000878   4.292813  -0.000010
    12  H   -0.000023  -0.100269   0.124861  -0.168234  -0.000010   1.595960
    13  H   -0.000017   0.118357  -0.045670   0.154808   0.000016  -0.524443
    14  H   -0.001279  -0.124398   0.161021  -0.297173  -0.000645   0.060433
    15  H    0.000529  -0.009850   0.017460  -0.097405   0.000518   0.134114
    16  H   -0.000179  -0.008948  -0.046224   0.215277   0.000034  -0.229500
    17  H   -0.000049   0.004676   0.012256   0.000059  -0.000949  -0.003620
    18  H    0.000184  -0.007594  -0.042432   0.004066   0.000060   0.003039
    19  H   -0.000070   0.041500   0.003212  -0.002825   0.000117  -0.005428
    20  H    0.000003   0.499567  -0.035209   0.024655  -0.000005  -0.010010
    21  H   -0.000044  -0.148945   0.003953  -0.010782  -0.000191   0.001851
    22  H   -0.000002  -0.191549   0.046368  -0.010561  -0.000013  -0.006572
    23  H    0.015197  -0.031441   0.005216   0.003383  -0.115351   0.004304
    24  H   -0.041055  -0.002136  -0.001189   0.002114  -0.009666   0.002631
    25  H    0.005072  -0.000009   0.000019   0.000342   0.198100  -0.000000
    26  H   -0.022133  -0.000018  -0.000005  -0.000035   0.206270   0.000000
    27  H    0.006746   0.000058   0.000052   0.000107   0.194407   0.000003
              13         14         15         16         17         18
     1  C   -0.141731   0.081080   0.032101  -0.023226  -0.199930   0.208234
     2  C   -0.056095  -0.046444   0.058697  -0.047270   0.242515   0.300178
     3  C    0.041886   0.007747   0.127326   0.086528  -0.036226  -0.094017
     4  C   -0.017364  -0.185567  -0.152856   0.051244   0.063245  -0.038903
     5  C    0.002527   0.033020   0.041764  -0.037870   0.005116  -0.007509
     6  C   -0.000047   0.000554   0.000820   0.003769  -0.001717  -0.007047
     7  O   -0.000017  -0.001279   0.000529  -0.000179  -0.000049   0.000184
     8  C    0.118357  -0.124398  -0.009850  -0.008948   0.004676  -0.007594
     9  C   -0.045670   0.161021   0.017460  -0.046224   0.012256  -0.042432
    10  C    0.154808  -0.297173  -0.097405   0.215277   0.000059   0.004066
    11  C    0.000016  -0.000645   0.000518   0.000034  -0.000949   0.000060
    12  H   -0.524443   0.060433   0.134114  -0.229500  -0.003620   0.003039
    13  H    2.004374  -0.035773  -0.238928   0.126569   0.001391  -0.027936
    14  H   -0.035773   1.784192   0.103650  -0.177724  -0.010826  -0.000136
    15  H   -0.238928   0.103650   1.459791  -0.431179  -0.006809   0.012856
    16  H    0.126569  -0.177724  -0.431179   2.196684   0.002083  -0.005185
    17  H    0.001391  -0.010826  -0.006809   0.002083   0.973543  -0.021867
    18  H   -0.027936  -0.000136   0.012856  -0.005185  -0.021867   0.952142
    19  H    0.034625  -0.002909   0.008841   0.002530  -0.175985  -0.135074
    20  H    0.006023  -0.029004  -0.000326   0.001807   0.000686  -0.003163
    21  H   -0.000890  -0.002220  -0.000239   0.000458   0.030427  -0.002580
    22  H   -0.003693   0.010178  -0.000401   0.000154  -0.023160  -0.002596
    23  H    0.000105  -0.125001  -0.010925  -0.014230  -0.001278   0.025780
    24  H   -0.002141  -0.007888   0.026746  -0.044723   0.002224   0.009141
    25  H    0.000001  -0.000392  -0.000010   0.000041  -0.000051  -0.000077
    26  H   -0.000000   0.000013  -0.000012  -0.000005  -0.000017   0.000040
    27  H    0.000002   0.000177   0.000026   0.000006  -0.000393  -0.000481
              19         20         21         22         23         24
     1  C   -0.133883  -0.000518   0.010439   0.040146   0.076076   0.011712
     2  C    0.235099  -0.066128   0.280776   0.275188  -0.135380  -0.040016
     3  C    0.019418  -0.070333   0.056186   0.021680  -0.308441   0.040055
     4  C   -0.005073   0.005350  -0.014710   0.002577  -0.981582  -0.611565
     5  C    0.002709  -0.001949  -0.000230   0.000118  -0.747587  -0.302692
     6  C    0.000487   0.000017   0.000512   0.000021  -0.179030  -0.434621
     7  O   -0.000070   0.000003  -0.000044  -0.000002   0.015197  -0.041055
     8  C    0.041500   0.499567  -0.148945  -0.191549  -0.031441  -0.002136
     9  C    0.003212  -0.035209   0.003953   0.046368   0.005216  -0.001189
    10  C   -0.002825   0.024655  -0.010782  -0.010561   0.003383   0.002114
    11  C    0.000117  -0.000005  -0.000191  -0.000013  -0.115351  -0.009666
    12  H   -0.005428  -0.010010   0.001851  -0.006572   0.004304   0.002631
    13  H    0.034625   0.006023  -0.000890  -0.003693   0.000105  -0.002141
    14  H   -0.002909  -0.029004  -0.002220   0.010178  -0.125001  -0.007888
    15  H    0.008841  -0.000326  -0.000239  -0.000401  -0.010925   0.026746
    16  H    0.002530   0.001807   0.000458   0.000154  -0.014230  -0.044723
    17  H   -0.175985   0.000686   0.030427  -0.023160  -0.001278   0.002224
    18  H   -0.135074  -0.003163  -0.002580  -0.002596   0.025780   0.009141
    19  H    1.102643   0.004492  -0.023009   0.021401  -0.001121  -0.000435
    20  H    0.004492   0.929359  -0.094616  -0.110037  -0.003970  -0.000227
    21  H   -0.023009  -0.094616   0.839885  -0.012021  -0.012281   0.000064
    22  H    0.021401  -0.110037  -0.012021   0.915148   0.002079   0.000002
    23  H   -0.001121  -0.003970  -0.012281   0.002079   2.995498   0.302864
    24  H   -0.000435  -0.000227   0.000064   0.000002   0.302864   1.854184
    25  H    0.000007  -0.000003   0.000021   0.000000  -0.032247  -0.011365
    26  H   -0.000004  -0.000001   0.000005   0.000000   0.029785   0.013836
    27  H    0.000016  -0.000011   0.000134  -0.000011  -0.024819  -0.011715
              25         26         27
     1  C   -0.000046   0.000069   0.000818
     2  C    0.000490  -0.000086   0.000896
     3  C   -0.000151  -0.000933   0.002333
     4  C    0.012246   0.047586  -0.002234
     5  C   -0.075234   0.057605  -0.044123
     6  C    0.139115   0.127452   0.112321
     7  O    0.005072  -0.022133   0.006746
     8  C   -0.000009  -0.000018   0.000058
     9  C    0.000019  -0.000005   0.000052
    10  C    0.000342  -0.000035   0.000107
    11  C    0.198100   0.206270   0.194407
    12  H   -0.000000   0.000000   0.000003
    13  H    0.000001  -0.000000   0.000002
    14  H   -0.000392   0.000013   0.000177
    15  H   -0.000010  -0.000012   0.000026
    16  H    0.000041  -0.000005   0.000006
    17  H   -0.000051  -0.000017  -0.000393
    18  H   -0.000077   0.000040  -0.000481
    19  H    0.000007  -0.000004   0.000016
    20  H   -0.000003  -0.000001  -0.000011
    21  H    0.000021   0.000005   0.000134
    22  H    0.000000   0.000000  -0.000011
    23  H   -0.032247   0.029785  -0.024819
    24  H   -0.011365   0.013836  -0.011715
    25  H    0.641844  -0.074016   0.054962
    26  H   -0.074016   1.120350  -0.072606
    27  H    0.054962  -0.072606   0.620321
 Mulliken charges:
               1
     1  C    1.894060
     2  C   -4.732790
     3  C    0.498331
     4  C   -0.044202
     5  C   -0.685811
     6  C   -0.239789
     7  O   -0.397839
     8  C    1.532251
     9  C    1.200660
    10  C    0.948782
    11  C    0.794580
    12  H    0.016762
    13  H   -0.395954
    14  H   -0.194687
    15  H   -0.076301
    16  H   -0.620922
    17  H    0.144657
    18  H   -0.119123
    19  H    0.008719
    20  H   -0.046451
    21  H    0.098047
    22  H    0.025554
    23  H    0.264392
    24  H    0.255862
    25  H    0.141341
    26  H   -0.433138
    27  H    0.163010
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.928314
     2  C   -4.732790
     3  C    0.303645
     4  C    0.220190
     5  C   -0.429949
     6  C   -0.239789
     7  O   -0.397839
     8  C    1.609400
     9  C    0.821468
    10  C    0.251559
    11  C    0.665793
 Electronic spatial extent (au):  <R**2>=           2426.9995
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6022    Y=              2.0546    Z=             -1.1654  Tot=              4.3076
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.3794   YY=            -69.6356   ZZ=            -69.4028
   XY=              8.3354   XZ=             -3.5381   YZ=              0.4522
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.2401   YY=              4.5037   ZZ=              4.7365
   XY=              8.3354   XZ=             -3.5381   YZ=              0.4522
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -56.4245  YYY=             -0.7697  ZZZ=             -0.6310  XYY=              1.4749
  XXY=             30.9240  XXZ=            -14.4591  XZZ=              0.0575  YZZ=             -0.7922
  YYZ=             -0.3136  XYZ=              1.8364
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2715.5457 YYYY=           -577.4862 ZZZZ=           -304.3398 XXXY=            115.4688
 XXXZ=            -58.2100 YYYX=              1.9750 YYYZ=              1.5416 ZZZX=              5.8049
 ZZZY=             -3.8892 XXYY=           -526.5419 XXZZ=           -455.3026 YYZZ=           -145.6338
 XXYZ=             18.4013 YYXZ=             -1.7893 ZZXY=              4.0938
 N-N= 6.117799230319D+02 E-N=-2.301536353839D+03  KE= 4.602730014039D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:04:02 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.5345   -3.5360       -2.9444   -2.9428
 2      3.5345    3.5360        1.5956    1.5954      -25.0840  -25.0874
 3      2.9444    2.9428       34.1959   34.2005       -1.5952   -1.5954
 4     -1.5956   -1.5954       -0.0000    0.0000        2.9445    2.9428
 5     -9.1120   -9.1131       -2.9445   -2.9428       -3.5344   -3.5360
 6      1.5952    1.5954        3.5344    3.5360        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       10.6080   10.6080       -8.8283   -8.8283
 2     -4.7861   -4.7861        0.0000    0.0000       -8.8283   -8.8283
 3     -4.7861   -4.7861       10.6080   10.6080       -0.0000    0.0000
 4     10.6080   10.6080        4.7861    4.7861      -75.2621  -75.2621
 5      8.8283    8.8283      102.6014  102.6014       -4.7861   -4.7861
 6    -27.3392  -27.3392       -8.8283   -8.8283      -10.6080  -10.6080
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0385    0.0000       14.1690   14.1440       11.7026   11.7710
 2    -14.1176  -14.1440       -6.3681   -6.3814      100.3806  100.3495
 3    -11.7925  -11.7710     -136.9240 -136.8018        6.3034    6.3814
 4      6.3998    6.3814       -0.0395    0.0000      -11.8010  -11.7710
 5     36.4906   36.4523       11.6561   11.7710       14.1748   14.1440
 6     -6.3279   -6.3814      -14.2574  -14.1440        0.0793    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1441    0.0000      -13.9328  -13.9552      -43.7119  -43.6114
 2     13.9669   13.9552      -16.6887  -16.3910       35.3556   35.3141
 3     43.6716   43.6114       18.9774   18.9194       16.4617   16.3910
 4     16.3972   16.3910       -0.1230    0.0000       43.7093   43.6114
 5    -54.2753  -54.2335      -43.8359  -43.6114      -13.7629  -13.9552
 6    -16.3614  -16.3910       14.1180   13.9552        0.0073    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.2563   33.2290       25.5744   25.6593       36.4449   36.4110
 2     53.7206   53.7756       14.8779   15.1350       36.4578   36.4110
 3     53.7440   53.7756       25.4442   25.6593       54.3455   54.2752
 4     10.4765   10.5243      -20.7675  -20.5466       49.0725   49.0070
 5     17.8750   17.8642       38.4523   38.3502       20.5861   20.5466
 6    -87.5872  -87.3571      -18.3727  -17.8642      -10.3883  -10.5243
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.6563                 0.9429                 0.1700
  Dep-P Fr= 1--      0.7499                 0.6415                 0.7453
  Dep-U Fr= 1--      0.8571                 0.7816                 0.8541
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0000
 Beta2  Fr= 1--      0.2366                 0.1228                 0.0242
 AlphaG Fr= 1--      0.0002                -0.0121                -0.0001
 Gamma2 Fr= 1--      0.9520                 0.2619                -0.0679
 Delta2 Fr= 1--      0.5192                 0.2492                -0.0712
 Raman1 Fr= 1--       6.625                  3.771                  0.680
 ROA1   Fr= 1--     108.008                 33.119                 -8.798
 CID1   Fr= 1--      16.302                  8.782                -12.939
 Raman2 Fr= 1--       2.839                  1.474                  0.290
 ROA2   Fr= 1--      18.695                  4.293                 -1.060
 CID2   Fr= 1--       6.584                  2.913                 -3.651
 Raman3 Fr= 1--       5.679                  2.948                  0.581
 ROA3   Fr= 1--     108.008                 33.119                 -8.798
 CID3   Fr= 1--      19.020                 11.236                -15.149
 RC180  Fr= 1--       0.714                  0.563                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.1002                 0.8310                 0.5420
  Dep-P Fr= 1--      0.6565                 0.6447                 0.7172
  Dep-U Fr= 1--      0.7926                 0.7840                 0.8353
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0003
 Beta2  Fr= 1--      0.0132                 0.1086                 0.0755
 AlphaG Fr= 1--     -0.0007                -0.0293                 0.0024
 Gamma2 Fr= 1--     -0.0286                -0.8375                 0.5762
 Delta2 Fr= 1--      0.0403                -0.0859                -0.0675
 Raman1 Fr= 1--       0.401                  3.324                  2.168
 ROA1   Fr= 1--      -1.453                -83.143                 53.156
 CID1   Fr= 1--      -3.624                -25.014                 24.519
 Raman2 Fr= 1--       0.159                  1.303                  0.905
 ROA2   Fr= 1--      -1.007                -19.412                 14.369
 CID2   Fr= 1--      -6.342                -14.899                 15.870
 Raman3 Fr= 1--       0.318                  2.606                  1.811
 ROA3   Fr= 1--      -1.453                -83.143                 53.156
 CID3   Fr= 1--      -4.573                -31.906                 29.354
 RC180  Fr= 1--       0.585                  0.568                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.6318                 2.1467                 1.9961
  Dep-P Fr= 1--      0.6957                 0.2113                 0.2401
  Dep-U Fr= 1--      0.8205                 0.3489                 0.3872
 Alpha2 Fr= 1--      0.0006                 0.0283                 0.0243
 Beta2  Fr= 1--      0.0864                 0.1248                 0.1288
 AlphaG Fr= 1--      0.0039                 0.0021                 0.0176
 Gamma2 Fr= 1--     -0.1233                 0.2191                -0.2111
 Delta2 Fr= 1--     -0.0190                 0.1225                 0.1859
 Raman1 Fr= 1--       2.527                  8.587                  7.984
 ROA1   Fr= 1--     -12.446                 24.957                -14.319
 CID1   Fr= 1--      -4.925                  2.906                 -1.793
 Raman2 Fr= 1--       1.037                  1.498                  1.546
 ROA2   Fr= 1--      -2.807                  4.279                 -6.555
 CID2   Fr= 1--      -2.707                  2.856                 -4.240
 Raman3 Fr= 1--       2.074                  2.996                  3.092
 ROA3   Fr= 1--     -12.446                 24.957                -14.319
 CID3   Fr= 1--      -6.002                  8.329                 -4.631
 RC180  Fr= 1--       0.641                 -0.302                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.5399                 1.7173                 1.3655
  Dep-P Fr= 1--      0.1311                 0.2484                 0.4636
  Dep-U Fr= 1--      0.2317                 0.3980                 0.6335
 Alpha2 Fr= 1--      0.0250                 0.0204                 0.0079
 Beta2  Fr= 1--      0.0595                 0.1139                 0.1442
 AlphaG Fr= 1--      0.0453                 0.0540                -0.0301
 Gamma2 Fr= 1--      0.8026                -0.9049                 0.0948
 Delta2 Fr= 1--      0.1752                -0.1043                 0.0763
 Raman1 Fr= 1--       6.160                  6.869                  5.462
 ROA1   Fr= 1--      82.653                -90.205                 11.539
 CID1   Fr= 1--      13.419                -13.132                  2.113
 Raman2 Fr= 1--       0.714                  1.367                  1.730
 ROA2   Fr= 1--      17.860                -20.882                  1.665
 CID2   Fr= 1--      25.025                -15.277                  0.962
 Raman3 Fr= 1--       1.427                  2.734                  3.460
 ROA3   Fr= 1--      82.653                -90.205                 11.539
 CID3   Fr= 1--      57.905                -32.997                  3.335
 RC180  Fr= 1--      -0.537                 -0.204                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3513                 1.5947                 0.4293
  Dep-P Fr= 1--      0.7495                 0.2891                 0.3093
  Dep-U Fr= 1--      0.8568                 0.4485                 0.4725
 Alpha2 Fr= 1--      0.0000                 0.0169                 0.0043
 Beta2  Fr= 1--      0.0502                 0.1192                 0.0338
 AlphaG Fr= 1--      0.0003                 0.0642                -0.0165
 Gamma2 Fr= 1--      0.2166                -0.0374                 0.3037
 Delta2 Fr= 1--      0.1164                -0.4104                -0.0671
 Raman1 Fr= 1--       1.405                  6.379                  1.717
 ROA1   Fr= 1--      24.516                -16.724                 27.009
 CID1   Fr= 1--      17.444                 -2.622                 15.730
 Raman2 Fr= 1--       0.602                  1.431                  0.406
 ROA2   Fr= 1--       4.267                  2.386                  7.826
 CID2   Fr= 1--       7.087                  1.668                 19.293
 Raman3 Fr= 1--       1.204                  2.861                  0.811
 ROA3   Fr= 1--      24.516                -16.724                 27.009
 CID3   Fr= 1--      20.359                 -5.845                 33.289
 RC180  Fr= 1--       0.714                 -0.103                 -0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.3960                 3.9376                12.0083
  Dep-P Fr= 1--      0.4977                 0.0745                 0.1207
  Dep-U Fr= 1--      0.6646                 0.1387                 0.2154
 Alpha2 Fr= 1--      0.0070                 0.0733                 0.1998
 Beta2  Fr= 1--      0.1546                 0.0910                 0.4311
 AlphaG Fr= 1--     -0.0048                 0.1303                 0.0175
 Gamma2 Fr= 1--      0.4931                 0.1229                -0.2632
 Delta2 Fr= 1--     -0.1278                 0.2237                 0.3674
 Raman1 Fr= 1--       5.584                 15.750                 48.033
 ROA1   Fr= 1--      43.251                 18.954                -13.507
 CID1   Fr= 1--       7.746                  1.203                 -0.281
 Raman2 Fr= 1--       1.856                  1.092                  5.173
 ROA2   Fr= 1--      12.858                  1.159                 -9.255
 CID2   Fr= 1--       6.929                  1.061                 -1.789
 Raman3 Fr= 1--       3.711                  2.185                 10.346
 ROA3   Fr= 1--      43.251                 18.954                -13.507
 CID3   Fr= 1--      11.654                  8.675                 -1.306
 RC180  Fr= 1--       0.329                 -0.723                 -0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      4.6386                 6.0322                 3.9776
  Dep-P Fr= 1--      0.0801                 0.0074                 0.1112
  Dep-U Fr= 1--      0.1483                 0.0147                 0.2001
 Alpha2 Fr= 1--      0.0852                 0.1317                 0.0678
 Beta2  Fr= 1--      0.1147                 0.0148                 0.1327
 AlphaG Fr= 1--     -0.3185                -0.1007                -0.1149
 Gamma2 Fr= 1--     -1.4300                 0.2246                -0.3057
 Delta2 Fr= 1--      0.3598                 0.0692                -0.1285
 Raman1 Fr= 1--      18.554                 24.129                 15.911
 ROA1   Fr= 1--    -125.771                 23.772                -33.460
 CID1   Fr= 1--      -6.779                  0.985                 -2.103
 Raman2 Fr= 1--       1.376                  0.178                  1.592
 ROA2   Fr= 1--     -37.199                  4.836                 -6.309
 CID2   Fr= 1--     -27.035                 27.212                 -3.963
 Raman3 Fr= 1--       2.752                  0.355                  3.184
 ROA3   Fr= 1--    -125.771                 23.772                -33.460
 CID3   Fr= 1--     -45.702                 66.880                -10.510
 RC180  Fr= 1--      -0.703                 -0.971                 -0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     15.3100                19.2032                14.0256
  Dep-P Fr= 1--      0.5764                 0.5112                 0.6142
  Dep-U Fr= 1--      0.7313                 0.6765                 0.7610
 Alpha2 Fr= 1--      0.0499                 0.0899                 0.0350
 Beta2  Fr= 1--      1.8661                 2.1652                 1.7788
 AlphaG Fr= 1--     -0.0569                -0.5235                 0.4334
 Gamma2 Fr= 1--     -1.3288               -10.3496                 8.4859
 Delta2 Fr= 1--     -0.2344                 0.0283                 0.1594
 Raman1 Fr= 1--      61.240                 76.813                 56.102
 ROA1   Fr= 1--    -135.066               -992.656                819.752
 CID1   Fr= 1--      -2.206                -12.923                 14.612
 Raman2 Fr= 1--      22.393                 25.982                 21.346
 ROA2   Fr= 1--     -30.016               -248.616                202.387
 CID2   Fr= 1--      -1.340                 -9.569                  9.481
 Raman3 Fr= 1--      44.786                 51.965                 42.692
 ROA3   Fr= 1--    -135.066               -992.656                819.752
 CID3   Fr= 1--      -3.016                -19.102                 19.202
 RC180  Fr= 1--       0.463                  0.353                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     12.0664                 2.4654                18.3369
  Dep-P Fr= 1--      0.4082                 0.7268                 0.4252
  Dep-U Fr= 1--      0.5797                 0.8418                 0.5967
 Alpha2 Fr= 1--      0.0868                 0.0010                 0.1238
 Beta2  Fr= 1--      1.1658                 0.3459                 1.8236
 AlphaG Fr= 1--      0.3874                 0.0140                 0.2773
 Gamma2 Fr= 1--      2.4440                 3.6344                 4.1083
 Delta2 Fr= 1--     -1.4115                 0.9963                 1.0679
 Raman1 Fr= 1--      48.266                  9.862                 73.347
 ROA1   Fr= 1--     189.457                380.784                428.564
 CID1   Fr= 1--       3.925                 38.612                  5.843
 Raman2 Fr= 1--      13.990                  4.151                 21.883
 ROA2   Fr= 1--      69.948                 79.256                 90.055
 CID2   Fr= 1--       5.000                 19.094                  4.115
 Raman3 Fr= 1--      27.980                  8.302                 43.766
 ROA3   Fr= 1--     189.457                380.784                428.564
 CID3   Fr= 1--       6.771                 45.869                  9.792
 RC180  Fr= 1--       0.159                  0.684                  0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     19.2483                35.9541                 6.2442
  Dep-P Fr= 1--      0.2854                 0.2996                 0.4513
  Dep-U Fr= 1--      0.4440                 0.4611                 0.6219
 Alpha2 Fr= 1--      0.2062                 0.3692                 0.0381
 Beta2  Fr= 1--      1.4244                 2.7629                 0.6472
 AlphaG Fr= 1--      0.0909                 0.6254                -0.0583
 Gamma2 Fr= 1--     -0.3531                 8.0015                 0.2354
 Delta2 Fr= 1--     -0.7989                 0.7365                 0.1063
 Raman1 Fr= 1--      76.993                143.816                 24.977
 ROA1   Fr= 1--     -59.465                791.708                 25.997
 CID1   Fr= 1--      -0.772                  5.505                  1.041
 Raman2 Fr= 1--      17.093                 33.155                  7.767
 ROA2   Fr= 1--      -2.085                186.143                  4.799
 CID2   Fr= 1--      -0.122                  5.614                  0.618
 Raman3 Fr= 1--      34.187                 66.309                 15.533
 ROA3   Fr= 1--     -59.465                791.708                 25.997
 CID3   Fr= 1--      -1.739                 11.940                  1.674
 RC180  Fr= 1--      -0.112                 -0.078                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.7315                 5.4963                 0.8723
  Dep-P Fr= 1--      0.5907                 0.2533                 0.5595
  Dep-U Fr= 1--      0.7427                 0.4042                 0.7175
 Alpha2 Fr= 1--      0.0229                 0.0645                 0.0032
 Beta2  Fr= 1--      0.9570                 0.3703                 0.1043
 AlphaG Fr= 1--     -0.3733                 0.6458                -0.0092
 Gamma2 Fr= 1--     -2.4440                 3.0816                 0.0958
 Delta2 Fr= 1--      0.8025                -0.2409                -0.1471
 Raman1 Fr= 1--      30.926                 21.985                  3.489
 ROA1   Fr= 1--    -208.944                288.130                  4.487
 CID1   Fr= 1--      -6.756                 13.106                  1.286
 Raman2 Fr= 1--      11.484                  4.444                  1.252
 ROA2   Fr= 1--     -65.076                 75.886                  3.475
 CID2   Fr= 1--      -5.667                 17.078                  2.776
 Raman3 Fr= 1--      22.968                  8.887                  2.503
 ROA3   Fr= 1--    -208.944                288.130                  4.487
 CID3   Fr= 1--      -9.097                 32.421                  1.793
 RC180  Fr= 1--       0.485                 -0.192                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--     11.5127                12.0486               104.7445
  Dep-P Fr= 1--      0.3300                 0.1686                 0.3476
  Dep-U Fr= 1--      0.4962                 0.2886                 0.5159
 Alpha2 Fr= 1--      0.1077                 0.1776                 0.9266
 Beta2  Fr= 1--      0.9521                 0.5795                 9.0067
 AlphaG Fr= 1--     -0.1592                 0.1683                 1.5489
 Gamma2 Fr= 1--      0.3142                -1.1841                12.2427
 Delta2 Fr= 1--      1.3665                -0.6611                 0.1172
 Raman1 Fr= 1--      46.051                 48.194                418.978
 ROA1   Fr= 1--      73.894               -134.831               1179.052
 CID1   Fr= 1--       1.605                 -2.798                  2.814
 Raman2 Fr= 1--      11.426                  6.954                108.081
 ROA2   Fr= 1--      -3.390                -23.129                292.888
 CID2   Fr= 1--      -0.297                 -3.326                  2.710
 Raman3 Fr= 1--      22.852                 13.908                216.162
 ROA3   Fr= 1--      73.894               -134.831               1179.052
 CID3   Fr= 1--       3.234                 -9.695                  5.454
 RC180  Fr= 1--      -0.008                 -0.423                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.7403                21.1423                22.3589
  Dep-P Fr= 1--      0.7500                 0.4435                 0.3050
  Dep-U Fr= 1--      0.8571                 0.6145                 0.4674
 Alpha2 Fr= 1--      0.0000                 0.1330                 0.2259
 Beta2  Fr= 1--      0.2486                 2.1654                 1.7418
 AlphaG Fr= 1--      0.0003                 0.2148                 0.2794
 Gamma2 Fr= 1--      0.1777                -1.1550                 2.0067
 Delta2 Fr= 1--      0.0903                -0.4228                -2.9678
 Raman1 Fr= 1--       6.961                 84.569                 89.436
 ROA1   Fr= 1--      19.947               -124.408                 97.672
 CID1   Fr= 1--       2.866                 -1.471                  1.092
 Raman2 Fr= 1--       2.983                 25.985                 20.902
 ROA2   Fr= 1--       3.542                -24.337                 71.903
 CID2   Fr= 1--       1.187                 -0.937                  3.440
 Raman3 Fr= 1--       5.967                 51.970                 41.804
 ROA3   Fr= 1--      19.947               -124.408                 97.672
 CID3   Fr= 1--       3.343                 -2.394                  2.336
 RC180  Fr= 1--       0.714                  0.229                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     17.9919                 9.2791                15.5965
  Dep-P Fr= 1--      0.2864                 0.5089                 0.2109
  Dep-U Fr= 1--      0.4453                 0.6745                 0.3483
 Alpha2 Fr= 1--      0.1921                 0.0439                 0.2057
 Beta2  Fr= 1--      1.3354                 1.0431                 0.9055
 AlphaG Fr= 1--      0.0017                 0.0337                -0.0049
 Gamma2 Fr= 1--      4.5416                 1.9939                 0.4343
 Delta2 Fr= 1--      2.7317                -0.0427                 0.0208
 Raman1 Fr= 1--      71.968                 37.116                 62.386
 ROA1   Fr= 1--     523.407                190.053                 42.360
 CID1   Fr= 1--       7.273                  5.120                  0.679
 Raman2 Fr= 1--      16.025                 12.518                 10.866
 ROA2   Fr= 1--      87.144                 48.196                 10.257
 CID2   Fr= 1--       5.438                  3.850                  0.944
 Raman3 Fr= 1--      32.049                 25.035                 21.731
 ROA3   Fr= 1--     523.407                190.053                 42.360
 CID3   Fr= 1--      16.331                  7.591                  1.949
 RC180  Fr= 1--      -0.109                  0.349                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     34.4145                30.9118                12.3420
  Dep-P Fr= 1--      0.2034                 0.2551                 0.3133
  Dep-U Fr= 1--      0.3380                 0.4066                 0.4771
 Alpha2 Fr= 1--      0.4632                 0.3611                 0.1216
 Beta2  Fr= 1--      1.9387                 2.0945                 0.9814
 AlphaG Fr= 1--      0.0923                 0.1821                -0.0980
 Gamma2 Fr= 1--     -0.0189                 7.9150                -1.1818
 Delta2 Fr= 1--      0.3463                 4.1022                -2.0846
 Raman1 Fr= 1--     137.658                123.647                 49.368
 ROA1   Fr= 1--       9.271                891.113               -180.156
 CID1   Fr= 1--       0.067                  7.207                 -3.649
 Raman2 Fr= 1--      23.265                 25.134                 11.777
 ROA2   Fr= 1--      -3.223                157.143                -11.685
 CID2   Fr= 1--      -0.139                  6.252                 -0.992
 Raman3 Fr= 1--      46.529                 50.269                 23.554
 ROA3   Fr= 1--       9.271                891.113               -180.156
 CID3   Fr= 1--       0.199                 17.727                 -7.649
 RC180  Fr= 1--      -0.324                 -0.187                 -0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     42.7600                 1.0025                 2.5990
  Dep-P Fr= 1--      0.3386                 0.6954                 0.3089
  Dep-U Fr= 1--      0.5059                 0.8204                 0.4720
 Alpha2 Fr= 1--      0.3894                 0.0010                 0.0260
 Beta2  Fr= 1--      3.6053                 0.1371                 0.2045
 AlphaG Fr= 1--      0.1345                 0.0011                -0.0058
 Gamma2 Fr= 1--      2.8679                 0.4731                 0.1596
 Delta2 Fr= 1--      0.0066                -0.0843                 0.2521
 Raman1 Fr= 1--     171.040                  4.010                 10.396
 ROA1   Fr= 1--     275.527                 42.716                 23.392
 CID1   Fr= 1--       1.611                 10.653                  2.250
 Raman2 Fr= 1--      43.263                  1.645                  2.453
 ROA2   Fr= 1--      68.776                 12.028                  1.814
 CID2   Fr= 1--       1.590                  7.313                  0.739
 Raman3 Fr= 1--      86.526                  3.290                  4.907
 ROA3   Fr= 1--     275.527                 42.716                 23.392
 CID3   Fr= 1--       3.184                 12.985                  4.767
 RC180  Fr= 1--       0.012                  0.641                 -0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.6525                 3.6870                 4.6261
  Dep-P Fr= 1--      0.7047                 0.7355                 0.7497
  Dep-U Fr= 1--      0.8268                 0.8476                 0.8569
 Alpha2 Fr= 1--      0.0013                 0.0009                 0.0000
 Beta2  Fr= 1--      0.2277                 0.5208                 0.6607
 AlphaG Fr= 1--      0.0088                 0.0068                -0.0025
 Gamma2 Fr= 1--      0.2205                 0.0747                -0.5649
 Delta2 Fr= 1--     -0.1231                 0.0602                 0.0096
 Raman1 Fr= 1--       6.610                 14.748                 18.504
 ROA1   Fr= 1--      17.227                  9.103                -53.927
 CID1   Fr= 1--       2.606                  0.617                 -2.914
 Raman2 Fr= 1--       2.732                  6.250                  7.928
 ROA2   Fr= 1--       6.276                  1.312                -13.635
 CID2   Fr= 1--       2.297                  0.210                 -1.720
 Raman3 Fr= 1--       5.465                 12.500                 15.857
 ROA3   Fr= 1--      17.227                  9.103                -53.927
 CID3   Fr= 1--       3.152                  0.728                 -3.401
 RC180  Fr= 1--       0.654                  0.695                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      3.7598                 9.1371                 4.4986
  Dep-P Fr= 1--      0.7491                 0.7304                 0.6178
  Dep-U Fr= 1--      0.8565                 0.8442                 0.7638
 Alpha2 Fr= 1--      0.0001                 0.0031                 0.0109
 Beta2  Fr= 1--      0.5367                 1.2856                 0.5726
 AlphaG Fr= 1--      0.0004                -0.0021                 0.0295
 Gamma2 Fr= 1--      1.9871                -1.7929                -0.3664
 Delta2 Fr= 1--      0.2316                -0.3490                 0.9054
 Raman1 Fr= 1--      15.039                 36.548                 17.994
 ROA1   Fr= 1--     198.172               -183.287                 -6.202
 CID1   Fr= 1--      13.177                 -5.015                 -0.345
 Raman2 Fr= 1--       6.441                 15.427                  6.872
 ROA2   Fr= 1--      45.838                -40.238                -16.037
 CID2   Fr= 1--       7.117                 -2.608                 -2.334
 Raman3 Fr= 1--      12.881                 30.854                 13.743
 ROA3   Fr= 1--     198.172               -183.287                 -6.202
 CID3   Fr= 1--      15.384                 -5.940                 -0.451
 RC180  Fr= 1--       0.713                  0.688                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--     13.7021                 3.2957                 1.3049
  Dep-P Fr= 1--      0.4700                 0.7310                 0.6061
  Dep-U Fr= 1--      0.6395                 0.8446                 0.7547
 Alpha2 Fr= 1--      0.0773                 0.0011                 0.0035
 Beta2  Fr= 1--      1.4603                 0.4639                 0.1641
 AlphaG Fr= 1--      0.0640                -0.0107                 0.0033
 Gamma2 Fr= 1--      0.7545                 0.7413                -0.0467
 Delta2 Fr= 1--     -1.4598                -0.9191                 0.1854
 Raman1 Fr= 1--      54.808                 13.183                  5.219
 ROA1   Fr= 1--      25.720                 41.755                  1.450
 CID1   Fr= 1--       0.469                  3.167                  0.278
 Raman2 Fr= 1--      17.524                  5.567                  1.970
 ROA2   Fr= 1--      29.787                 25.145                 -2.604
 CID2   Fr= 1--       1.700                  4.517                 -1.322
 Raman3 Fr= 1--      35.047                 11.134                  3.939
 ROA3   Fr= 1--      25.720                 41.755                  1.450
 CID3   Fr= 1--       0.734                  3.750                  0.368
 RC180  Fr= 1--       0.279                  0.689                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    438.1224               286.0957                78.9282
  Dep-P Fr= 1--      0.2887                 0.3191                 0.4797
  Dep-U Fr= 1--      0.4480                 0.4838                 0.6484
 Alpha2 Fr= 1--      4.6468                 2.7689                 0.4272
 Beta2  Fr= 1--     32.7165                23.0707                 8.5292
 AlphaG Fr= 1--      1.6662                 0.3715                -1.0487
 Gamma2 Fr= 1--     17.7262                 0.1157                -4.5250
 Delta2 Fr= 1--      1.6222                 1.4154               -12.3026
 Raman1 Fr= 1--    1752.489               1144.383                315.713
 ROA1   Fr= 1--    1753.631                 56.400               -828.081
 CID1   Fr= 1--       1.001                  0.049                 -2.623
 Raman2 Fr= 1--     392.598                276.849                102.350
 ROA2   Fr= 1--     412.452                 -8.547                -10.178
 CID2   Fr= 1--       1.051                 -0.031                 -0.099
 Raman3 Fr= 1--     785.196                553.697                204.701
 ROA3   Fr= 1--    1753.631                 56.400               -828.081
 CID3   Fr= 1--       2.233                  0.102                 -4.045
 RC180  Fr= 1--      -0.104                 -0.032                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    165.1866               208.7442               149.9858
  Dep-P Fr= 1--      0.0345                 0.0189                 0.0097
  Dep-U Fr= 1--      0.0668                 0.0371                 0.0191
 Alpha2 Fr= 1--      3.3848                 4.4377                 3.2587
 Beta2  Fr= 1--      1.8386                 1.2924                 0.4780
 AlphaG Fr= 1--     -1.4693                -0.5434                 0.9503
 Gamma2 Fr= 1--     -5.1417                 2.8353                 0.9487
 Delta2 Fr= 1--     -2.7037                 0.1200                -1.9449
 Raman1 Fr= 1--     660.747                834.977                599.943
 ROA1   Fr= 1--    -580.119                276.026                 28.838
 CID1   Fr= 1--      -0.878                  0.331                  0.048
 Raman2 Fr= 1--      22.063                 15.509                  5.736
 ROA2   Fr= 1--    -101.771                 67.086                 38.329
 CID2   Fr= 1--      -4.613                  4.326                  6.682
 Raman3 Fr= 1--      44.126                 31.017                 11.471
 ROA3   Fr= 1--    -580.119                276.026                 28.838
 CID3   Fr= 1--     -13.147                  8.899                  2.514
 RC180  Fr= 1--      -0.866                 -0.926                 -0.962
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    204.1842               128.9905                58.5111
  Dep-P Fr= 1--      0.0982                 0.0755                 0.5924
  Dep-U Fr= 1--      0.1788                 0.1404                 0.7440
 Alpha2 Fr= 1--      3.5911                 2.3969                 0.1716
 Beta2  Fr= 1--      6.0834                 3.0187                 7.2556
 AlphaG Fr= 1--     -0.2233                 0.2377                 0.1765
 Gamma2 Fr= 1--      3.4621                 5.9099                 0.4819
 Delta2 Fr= 1--     -4.1666                -6.2893                 3.1267
 Raman1 Fr= 1--     816.737                515.962                234.044
 ROA1   Fr= 1--     199.032                366.094                146.320
 CID1   Fr= 1--       0.244                  0.710                  0.625
 Raman2 Fr= 1--      73.000                 36.224                 87.068
 ROA2   Fr= 1--     116.423                192.152                -13.447
 CID2   Fr= 1--       1.595                  5.305                 -0.154
 Raman3 Fr= 1--     146.001                 72.448                174.135
 ROA3   Fr= 1--     199.032                366.094                146.320
 CID3   Fr= 1--       1.363                  5.053                  0.840
 RC180  Fr= 1--      -0.642                 -0.719                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     57.1743               101.5488                37.8774
  Dep-P Fr= 1--      0.6986                 0.7215                 0.7290
  Dep-U Fr= 1--      0.8226                 0.8382                 0.8433
 Alpha2 Fr= 1--      0.0512                 0.0499                 0.0136
 Beta2  Fr= 1--      7.8384                14.1862                 5.3236
 AlphaG Fr= 1--     -0.0459                 0.1042                 0.2058
 Gamma2 Fr= 1--     12.0786                 7.5672                13.1096
 Delta2 Fr= 1--     12.4736                 2.0015                 9.6602
 Raman1 Fr= 1--     228.697                406.195                151.510
 ROA1   Fr= 1--    1558.697                790.503               1567.645
 CID1   Fr= 1--       6.816                  1.946                 10.347
 Raman2 Fr= 1--      94.061                170.235                 63.883
 ROA2   Fr= 1--     190.097                165.602                237.348
 CID2   Fr= 1--       2.021                  0.973                  3.715
 Raman3 Fr= 1--     188.121                340.470                127.766
 ROA3   Fr= 1--    1558.697                790.503               1567.645
 CID3   Fr= 1--       8.286                  2.322                 12.270
 RC180  Fr= 1--       0.645                  0.676                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    110.8266                30.9413                79.0765
  Dep-P Fr= 1--      0.5848                 0.6402                 0.5973
  Dep-U Fr= 1--      0.7380                 0.7806                 0.7479
 Alpha2 Fr= 1--      0.3423                 0.0614                 0.2240
 Beta2  Fr= 1--     13.6316                 4.0257                 9.8567
 AlphaG Fr= 1--      0.2385                 0.0961                 0.7146
 Gamma2 Fr= 1--    -37.7745                12.7392                -2.0288
 Delta2 Fr= 1--     -4.3734                -1.0689                -4.0009
 Raman1 Fr= 1--     443.306                123.765                316.306
 ROA1   Fr= 1--   -3766.302               1188.755               -322.794
 CID1   Fr= 1--      -8.496                  9.605                 -1.021
 Raman2 Fr= 1--     163.579                 48.309                118.280
 ROA2   Fr= 1--    -871.601                314.292                -16.684
 CID2   Fr= 1--      -5.328                  6.506                 -0.141
 Raman3 Fr= 1--     327.157                 96.617                236.561
 ROA3   Fr= 1--   -3766.302               1188.755               -322.794
 CID3   Fr= 1--     -11.512                 12.304                 -1.365
 RC180  Fr= 1--       0.476                  0.561                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     76.9534                86.6105                47.7673
  Dep-P Fr= 1--      0.1798                 0.5874                 0.1943
  Dep-U Fr= 1--      0.3048                 0.7401                 0.3254
 Alpha2 Fr= 1--      1.1020                 0.2629                 0.6585
 Beta2  Fr= 1--      3.9088                10.6828                 2.5909
 AlphaG Fr= 1--      0.4251                -0.1578                -0.6455
 Gamma2 Fr= 1--     -0.1012                -0.5172                -0.1072
 Delta2 Fr= 1--      0.9703                -3.0489                 2.0508
 Raman1 Fr= 1--     307.814                346.442                191.069
 ROA1   Fr= 1--      21.330               -147.217                 55.329
 CID1   Fr= 1--       0.069                 -0.425                  0.290
 Raman2 Fr= 1--      46.906                128.194                 31.090
 ROA2   Fr= 1--     -10.192                 11.978                -18.980
 CID2   Fr= 1--      -0.217                  0.093                 -0.610
 Raman3 Fr= 1--      93.811                256.388                 62.180
 ROA3   Fr= 1--      21.330               -147.217                 55.329
 CID3   Fr= 1--       0.227                 -0.574                  0.890
 RC180  Fr= 1--      -0.390                  0.480                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.170418D+03 -0.588551D+01  0.707199D+01
      2  -0.588551D+01  0.120244D+03 -0.319072D+01
      3   0.707199D+01 -0.319072D+01  0.102018D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.298607D+01 -0.173709D+01 -0.110757D+02
      2   0.453485D+02 -0.146710D+02 -0.346702D+02
      3  -0.287946D+01  0.182792D+02  0.124458D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.714627D+02 -0.165143D+02  0.359986D+02
      2  -0.191169D+02  0.178937D+02 -0.182765D+02
      3  -0.523459D+02 -0.137936D+01 -0.177221D+02
      4   0.139611D+01 -0.325359D+02 -0.339090D+02
      5   0.319382D+02 -0.321328D+02 -0.863114D+02
      6  -0.111816D+02 -0.447274D+01  0.270554D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.375999D+01 -0.190830D+01 -0.400072D+01 -0.101407D+01 -0.386396D+01
      2  -0.190830D+01 -0.379480D+01  0.218940D+01 -0.386396D+01 -0.193612D+01
      3  -0.400072D+01  0.218940D+01  0.349983D+01  0.221686D+01 -0.202384D+01
                 6             7             8             9            10 
      1   0.221686D+01 -0.325099D+01  0.265362D+01  0.325144D+01 -0.262612D+02
      2  -0.202384D+01  0.265362D+01 -0.129385D+01  0.851661D+00  0.437407D+01
      3   0.156370D+01  0.325144D+01  0.851661D+00  0.867410D+00  0.317647D+01
                11            12            13            14            15 
      1   0.437407D+01  0.317647D+01  0.145185D+02  0.155637D+01 -0.269222D+01
      2   0.259190D+01 -0.215350D+01  0.155637D+01  0.453143D+01  0.137279D+01
      3  -0.215350D+01 -0.342166D+01 -0.269222D+01  0.137279D+01 -0.883930D+00
                16            17            18            19            20 
      1   0.159263D+02 -0.386641D+01 -0.564055D+01  0.407427D+02 -0.460342D+01
      2  -0.386641D+01  0.262611D+01 -0.305506D+00 -0.460342D+01  0.286544D+01
      3  -0.564055D+01 -0.305506D+00 -0.284764D+01  0.918291D+00  0.944002D+00
                21            22            23            24            25 
      1   0.918291D+00 -0.131080D+02  0.310928D+01  0.210818D+01 -0.594756D+01
      2   0.944002D+00  0.310928D+01  0.178708D+01 -0.174682D+01  0.247040D+01
      3   0.278036D+01  0.210818D+01 -0.174682D+01 -0.213738D+01  0.673068D+01
                26            27            28            29            30 
      1   0.247040D+01  0.673068D+01 -0.553477D+02  0.473118D+01 -0.467372D+01
      2  -0.267420D+01 -0.175961D+01  0.473118D+01 -0.240644D+01 -0.121182D+00
      3  -0.175961D+01  0.542399D+01 -0.467372D+01 -0.121182D+00 -0.214343D+01
                31            32            33            34            35 
      1   0.152317D+02 -0.451643D+01  0.904141D+00 -0.151070D+02 -0.194813D-01
      2  -0.451643D+01 -0.197442D+01  0.119085D+01 -0.194813D-01  0.117021D+01
      3   0.904141D+00  0.119085D+01  0.140133D+01 -0.675567D+01  0.112275D+01
                36            37            38            39            40 
      1  -0.675567D+01  0.520558D+02 -0.673631D+01  0.641866D+01 -0.115407D+02
      2   0.112275D+01 -0.673631D+01  0.113686D+01 -0.434928D+00  0.363117D+01
      3  -0.477035D+01  0.641866D+01 -0.434928D+00  0.227649D+01 -0.633253D+00
                41            42            43            44            45 
      1   0.363117D+01 -0.633253D+00  0.158004D+02 -0.999015D+00  0.550680D+01
      2   0.299942D+01 -0.162297D+01 -0.999015D+00 -0.189653D+01 -0.132509D+01
      3  -0.162297D+01 -0.168304D+01  0.550680D+01 -0.132509D+01  0.254191D+01
                46            47            48            49            50 
      1  -0.395731D+02  0.725307D+01 -0.703758D+01  0.109160D+02 -0.374428D+01
      2   0.725307D+01 -0.212173D+01  0.191657D+01 -0.374428D+01 -0.215754D+01
      3  -0.703758D+01  0.191657D+01 -0.121961D+01  0.316203D+01  0.105611D+00
                51            52            53            54            55 
      1   0.316203D+01 -0.110191D+02  0.284667D+01 -0.178540D+01  0.344388D+02
      2   0.105611D+00  0.284667D+01  0.255048D+00  0.866127D+00 -0.661644D+01
      3   0.119728D+01 -0.178540D+01  0.866127D+00 -0.754205D+00  0.549618D+01
                56            57            58            59            60 
      1  -0.661644D+01  0.549618D+01 -0.245589D+02  0.711131D+01 -0.411068D+01
      2   0.315187D+01 -0.125284D+01  0.711131D+01 -0.537691D+01  0.177043D+01
      3  -0.125284D+01  0.221235D+01 -0.411068D+01  0.177043D+01 -0.197100D+01
                61            62            63            64            65 
      1   0.123079D+02 -0.188487D+01  0.615643D+01  0.696649D+01 -0.290537D+01
      2  -0.188487D+01  0.996914D+00 -0.263055D+01 -0.290537D+01 -0.317981D+01
      3   0.615643D+01 -0.263055D+01  0.366600D+01 -0.221985D+01  0.271738D+01
                66            67            68            69            70 
      1  -0.221985D+01 -0.263276D+01 -0.227863D+01  0.293014D+01 -0.470821D+01
      2   0.271738D+01 -0.227863D+01 -0.366101D+01 -0.460883D+00  0.306648D+01
      3   0.286672D+01  0.293014D+01 -0.460883D+00  0.175655D+01  0.398585D+01
                71            72            73            74            75 
      1   0.306648D+01  0.398585D+01  0.359840D+01  0.203340D+01  0.137264D+01
      2  -0.105502D+01  0.639233D+00  0.203340D+01 -0.247432D+01 -0.849583D+00
      3   0.639233D+00  0.458862D+01  0.137264D+01 -0.849583D+00  0.299522D+01
                76            77            78            79            80 
      1   0.330148D+01 -0.276051D+01 -0.180891D+01 -0.147712D+01 -0.140030D+01
      2  -0.276051D+01 -0.567474D+01 -0.392502D+00 -0.140030D+01 -0.988371D+00
      3  -0.180891D+01 -0.392502D+00  0.142349D+01  0.517632D+01  0.212077D+01
                81            82            83            84            85 
      1   0.517632D+01  0.347994D+01 -0.233153D+01 -0.210438D+01 -0.313301D+01
      2   0.212077D+01 -0.233153D+01 -0.175914D+01  0.175970D+01 -0.226533D+01
      3  -0.125080D+01 -0.210438D+01  0.175970D+01 -0.852934D+00  0.147646D+01
                86            87            88            89            90 
      1  -0.226533D+01  0.147646D+01 -0.222679D+01  0.202822D+01 -0.120282D+01
      2   0.147402D+01  0.289670D+01  0.202822D+01  0.410085D+01  0.268488D+01
      3   0.289670D+01  0.226214D+01 -0.120282D+01  0.268488D+01 -0.470979D+00
                91            92            93            94            95 
      1  -0.905220D+01 -0.201767D+01 -0.213019D+01  0.320454D+00  0.354256D+01
      2  -0.201767D+01  0.354962D+01 -0.778612D-01  0.354256D+01  0.107654D+01
      3  -0.213019D+01 -0.778612D-01  0.178169D+01 -0.535773D-01 -0.121964D+01
                96            97            98            99           100 
      1  -0.535773D-01 -0.325113D+01 -0.186265D+00  0.447403D+00 -0.650070D+01
      2  -0.121964D+01 -0.186265D+00 -0.120434D+01 -0.271704D+01 -0.164938D+01
      3  -0.188576D+01  0.447403D+00 -0.271704D+01  0.386099D+01 -0.276302D+01
               101           102           103           104           105 
      1  -0.164938D+01 -0.276302D+01 -0.288853D+00 -0.916832D+00 -0.172184D+00
      2  -0.127101D+01 -0.496952D+00 -0.916832D+00 -0.225409D+00 -0.570788D+00
      3  -0.496952D+00 -0.222706D+01 -0.172184D+00 -0.570788D+00 -0.380036D+00
               106           107           108           109           110 
      1  -0.501201D+01 -0.794879D+00 -0.315447D+01 -0.285575D+01 -0.159481D+01
      2  -0.794879D+00 -0.137995D+01 -0.105943D+01 -0.159481D+01 -0.772776D+00
      3  -0.315447D+01 -0.105943D+01 -0.278812D+01  0.189961D+01  0.843918D+00
               111           112           113           114           115 
      1   0.189961D+01 -0.699392D+00 -0.137926D+01  0.101770D+01  0.491864D+01
      2   0.843918D+00 -0.137926D+01 -0.134367D+01  0.136202D+01  0.202011D+01
      3  -0.199629D+01  0.101770D+01  0.136202D+01 -0.131230D+01 -0.413093D+01
               116           117           118           119           120 
      1   0.202011D+01 -0.413093D+01 -0.645159D+01  0.103257D+01 -0.196587D+01
      2   0.232779D+01 -0.210196D+01  0.103257D+01 -0.537424D+00  0.306635D-01
      3  -0.210196D+01  0.521058D+01 -0.196587D+01  0.306635D-01 -0.179612D+01
               121           122           123           124           125 
      1   0.502317D+01 -0.119526D+01  0.170205D+00 -0.337498D+01 -0.110382D+00
      2  -0.119526D+01  0.184296D+00 -0.101668D+01 -0.110382D+00 -0.117690D+01
      3   0.170205D+00 -0.101668D+01  0.109850D+01 -0.368403D+01  0.931316D+00
               126           127           128           129           130 
      1  -0.368403D+01  0.204891D+01 -0.208069D+00  0.979916D+00 -0.338157D+00
      2   0.931316D+00 -0.208069D+00  0.156498D+01 -0.783082D+00  0.838367D+00
      3  -0.877168D+01  0.979916D+00 -0.783082D+00  0.128220D+01 -0.526977D+00
               131           132           133           134           135 
      1   0.838367D+00 -0.526977D+00  0.172192D+01 -0.662994D+00  0.865091D+00
      2  -0.232218D+01  0.883008D+00 -0.662994D+00  0.192996D+01 -0.176565D+01
      3   0.883008D+00 -0.118987D+01  0.865091D+00 -0.176565D+01  0.293046D+01
               136           137           138           139           140 
      1  -0.952779D+00 -0.101398D+01 -0.465412D+00 -0.179574D+00 -0.459945D+00
      2  -0.101398D+01 -0.137719D+00 -0.222275D+00 -0.459945D+00 -0.723841D+01
      3  -0.465412D+00 -0.222275D+00  0.149345D-01 -0.288441D+00 -0.341945D+01
               141           142           143           144           145 
      1  -0.288441D+00 -0.104737D+01 -0.509483D+00  0.457739D-01  0.219939D+01
      2  -0.341945D+01 -0.509483D+00 -0.487261D+01 -0.353019D+01  0.191987D+01
      3  -0.241009D+01  0.457739D-01 -0.353019D+01 -0.327612D+01  0.615456D+00
               146           147           148           149           150 
      1   0.191987D+01  0.615456D+00  0.165230D+01  0.232241D+01  0.200488D+00
      2   0.278671D+01  0.547851D+00  0.232241D+01  0.551708D+01  0.145682D+01
      3   0.547851D+00  0.769566D+00  0.200488D+00  0.145682D+01  0.146498D+01
               151           152           153           154           155 
      1  -0.271237D+00 -0.313667D-01  0.266618D+00  0.187606D+01 -0.854984D+00
      2  -0.313667D-01  0.123755D+00  0.635034D+00 -0.854984D+00  0.150721D+01
      3   0.266618D+00  0.635034D+00  0.257243D+00  0.130848D+01 -0.705026D+00
               156           157           158           159           160 
      1   0.130848D+01 -0.127191D+01  0.138358D+01 -0.890455D+00  0.887018D+00
      2  -0.705026D+00  0.138358D+01 -0.237110D+01  0.129471D+01 -0.703476D+00
      3   0.150583D+01 -0.890455D+00  0.129471D+01 -0.262482D+01  0.784817D+00
               161           162           163           164           165 
      1  -0.703476D+00  0.784817D+00 -0.561430D+01  0.164001D+01  0.379339D+01
      2   0.112106D+01 -0.126873D+01  0.164001D+01 -0.121315D+01 -0.151018D+01
      3  -0.126873D+01  0.254562D+01  0.379339D+01 -0.151018D+01 -0.434567D+01
               166           167           168           169           170 
      1   0.657038D+00 -0.741434D+00 -0.838409D+00  0.221824D+01 -0.104875D+01
      2  -0.741434D+00  0.122837D+01  0.132840D+01 -0.104875D+01  0.102300D+01
      3  -0.838409D+00  0.132840D+01  0.830069D+00 -0.319497D+01  0.125721D+01
               171           172           173           174           175 
      1  -0.319497D+01 -0.245711D+01  0.301574D+00 -0.169390D+01 -0.920247D+00
      2   0.125721D+01  0.301574D+00 -0.667484D-01 -0.185456D+00  0.766283D-01
      3   0.450958D+01 -0.169390D+01 -0.185456D+00 -0.218462D+01 -0.811220D+00
               176           177           178           179           180 
      1   0.766283D-01 -0.811220D+00 -0.239152D+01  0.184895D+00 -0.330022D+01
      2  -0.413764D+00 -0.767869D+00  0.184895D+00 -0.137582D+01  0.185590D+00
      3  -0.767869D+00 -0.141810D+01 -0.330022D+01  0.185590D+00 -0.703216D+01
               181           182           183           184           185 
      1   0.119192D+01  0.134513D+01  0.537812D-01  0.155455D+01  0.889092D+00
      2   0.134513D+01  0.374940D+01 -0.863714D+00  0.889092D+00  0.787247D+01
      3   0.537812D-01 -0.863714D+00  0.632546D+00 -0.273159D+00 -0.118155D+01
               186           187           188           189           190 
      1  -0.273159D+00  0.469132D+00 -0.507832D+00 -0.114992D+00 -0.817777D+01
      2  -0.118155D+01 -0.507832D+00 -0.590326D+00  0.107208D+01  0.351290D+01
      3   0.101247D+01 -0.114992D+00  0.107208D+01 -0.857482D+00  0.201240D+01
               191           192           193           194           195 
      1   0.351290D+01  0.201240D+01  0.166500D+01 -0.185279D+01 -0.830246D+00
      2  -0.201528D+01 -0.882262D+00 -0.185279D+01  0.213640D+01  0.654659D+00
      3  -0.882262D+00 -0.183859D+01 -0.830246D+00  0.654659D+00  0.315653D+00
               196           197           198           199           200 
      1   0.506552D+01 -0.225555D+01 -0.231750D+01 -0.377080D+00  0.146378D+01
      2  -0.225555D+01  0.201991D+01  0.862266D+00  0.146378D+01  0.866673D+00
      3  -0.231750D+01  0.862266D+00  0.155621D+01 -0.690679D+00 -0.129248D+00
               201           202           203           204           205 
      1  -0.690679D+00  0.186812D+01  0.101643D+01  0.670401D-01 -0.198660D+01
      2  -0.129248D+00  0.101643D+01  0.585741D+01 -0.176648D+01  0.464963D+00
      3  -0.889105D-01  0.670401D-01 -0.176648D+01  0.125371D+01  0.865132D+00
               206           207           208           209           210 
      1   0.464963D+00  0.865132D+00  0.220424D+00 -0.110586D+01  0.351475D+00
      2  -0.143451D+01  0.893082D+00 -0.110586D+01 -0.955878D-01 -0.519424D-01
      3   0.893082D+00 -0.472894D+00  0.351475D+00 -0.519424D-01  0.152031D+00
               211           212           213           214           215 
      1  -0.225556D+01 -0.330203D+00 -0.717678D-01  0.636038D+00 -0.971434D-01
      2  -0.330203D+00 -0.682578D+01  0.112621D+01 -0.971434D-01  0.152331D+01
      3  -0.717678D-01  0.112621D+01 -0.103123D+01 -0.268530D+00 -0.840120D+00
               216           217           218           219           220 
      1  -0.268530D+00  0.131199D+01  0.285791D+00 -0.518100D+00  0.136191D+01
      2  -0.840120D+00  0.285791D+00 -0.968611D+00  0.203554D+00  0.187554D+00
      3   0.384635D+00 -0.518100D+00  0.203554D+00 -0.644429D+00 -0.269344D-02
               221           222           223           224           225 
      1   0.187554D+00 -0.269344D-02 -0.207820D+01 -0.103672D+01  0.746224D+00
      2   0.151653D+01 -0.113558D+01 -0.103672D+01 -0.242317D+01  0.248398D+01
      3  -0.113558D+01  0.138304D+01  0.746224D+00  0.248398D+01 -0.683186D+01
               226           227           228           229           230 
      1   0.102447D+02  0.291386D+01  0.789154D+00  0.136773D+01  0.110349D+01
      2   0.291386D+01  0.179412D+01  0.208189D+00  0.110349D+01  0.771504D+00
      3   0.789154D+00  0.208189D+00  0.117683D+01  0.153247D+00  0.318803D+00
               231           232           233           234           235 
      1   0.153247D+00  0.162193D+01  0.516488D+00  0.120215D+01 -0.514149D+00
      2   0.318803D+00  0.516488D+00  0.598720D+00  0.672211D+00  0.738912D+00
      3   0.332308D+00  0.120215D+01  0.672211D+00  0.185396D+00  0.107752D+01
               236           237           238           239           240 
      1   0.738912D+00  0.107752D+01  0.250330D+01 -0.463372D+00 -0.402304D+00
      2  -0.275023D+01 -0.641201D+00 -0.463372D+00  0.456851D+01  0.156405D+01
      3  -0.641201D+00 -0.118727D+01 -0.402304D+00  0.156405D+01  0.163232D+01
               241           242           243 
      1   0.157675D+01 -0.136922D+00 -0.480639D+00
      2  -0.136922D+00  0.254897D+01  0.202569D+01
      3  -0.480639D+00  0.202569D+01  0.159566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.120513D+01 -0.112579D+02  0.181896D+01 -0.115662D+02 -0.288811D+01
      2   0.827211D+01  0.945645D+00  0.521666D+01 -0.891913D+00  0.124592D+02
      3  -0.233769D+01 -0.110786D+02 -0.988690D+00 -0.658360D+01 -0.797389D+01
                 6             7             8             9            10 
      1  -0.870374D+01  0.223125D+01 -0.216525D+01  0.316916D+01 -0.103985D+02
      2  -0.727230D+01 -0.236527D+01 -0.575166D+01 -0.717356D+01 -0.307404D+02
      3  -0.449545D+00  0.188201D+01 -0.762698D-01  0.424939D+01  0.407795D+01
                11            12            13            14            15 
      1   0.600466D+01  0.258475D+01  0.548638D+01 -0.741689D+00 -0.377298D+01
      2   0.796066D+01  0.123271D+02  0.194618D+02 -0.721923D+01  0.198658D+01
      3   0.631593D+01 -0.185711D+01  0.114559D+02  0.150018D+02  0.179255D+01
                16            17            18            19            20 
      1   0.565936D+01  0.574706D+01  0.887598D+00  0.127222D+02 -0.426493D+01
      2   0.181654D+02  0.951691D+00  0.341338D+01  0.307189D+02 -0.584543D+01
      3  -0.353479D+01  0.687576D+00 -0.378137D+01 -0.511408D+01 -0.467145D+01
                21            22            23            24            25 
      1  -0.309371D+01 -0.630052D+01 -0.537427D+01 -0.629132D+00 -0.899758D+01
      2   0.123951D+01 -0.164364D+02  0.518752D+01  0.441467D+01 -0.210425D+02
      3  -0.927319D+00  0.908200D+01 -0.166610D+01 -0.808357D+00 -0.276903D+01
                26            27            28            29            30 
      1   0.456285D+01  0.283337D+01 -0.119226D+02  0.185114D+01  0.172068D+01
      2   0.390646D+01  0.289929D+01 -0.325070D+02  0.237513D+01 -0.729060D+01
      3  -0.986781D+00 -0.177876D+01  0.741364D+01  0.273750D+01  0.247862D+01
                31            32            33            34            35 
      1   0.339944D+01  0.299691D+01 -0.229559D+01  0.553017D+01  0.295451D+01
      2   0.940101D+01 -0.306540D+01  0.157936D+01 -0.449068D+02  0.333057D+01
      3   0.187411D+02 -0.136726D+01  0.100020D+01  0.841443D+01  0.138566D+01
                36            37            38            39            40 
      1  -0.831805D+00  0.930142D+01 -0.171167D+01 -0.328738D+01 -0.861932D+01
      2  -0.994551D+01  0.391451D+02 -0.353575D+01  0.125634D+02 -0.680123D+01
      3   0.881127D+00  0.145717D+01 -0.665667D+01 -0.197464D+01  0.102270D+02
                41            42            43            44            45 
      1   0.478538D+00 -0.204588D+01 -0.685417D+01  0.101138D+01 -0.112128D+01
      2  -0.111920D+01  0.699808D+00  0.143614D+02 -0.556560D+00  0.701540D+01
      3  -0.126172D+02  0.492115D+01 -0.593649D+01  0.303055D+01 -0.443028D-01
                46            47            48            49            50 
      1  -0.833034D+01 -0.119989D+01  0.933894D+01 -0.125863D+01  0.671143D+01
      2  -0.238672D+02  0.383752D+01 -0.190750D+02  0.369615D+01 -0.852313D+00
      3  -0.887471D+01  0.101361D+02  0.298850D+01  0.179247D+02  0.525554D+01
                51            52            53            54            55 
      1   0.391285D+01  0.235329D+01  0.151937D+02 -0.311914D+01  0.495446D+01
      2   0.416954D+01 -0.275010D+02 -0.117329D+01 -0.846485D+01  0.196052D+02
      3   0.173413D+01  0.113999D+01  0.494549D+01 -0.130134D+01  0.334129D+01
                56            57            58            59            60 
      1   0.145936D+01 -0.204359D+01 -0.195814D+01 -0.237091D+01 -0.456860D+01
      2  -0.371828D+01  0.190181D+02 -0.134757D+02  0.572137D+01 -0.123965D+02
      3  -0.181600D+02 -0.163299D+00 -0.665220D+01  0.177923D+02 -0.306540D+01
                61            62            63            64            65 
      1   0.339601D+01 -0.649420D+00  0.202695D+01  0.646396D+01 -0.409865D+01
      2   0.159059D+02 -0.553335D+01  0.142528D+02  0.104989D+02 -0.108249D+02
      3  -0.230134D+00 -0.713978D+01  0.477763D+01  0.633119D+00 -0.195624D+02
                66            67            68            69            70 
      1  -0.788166D+01 -0.386840D+01  0.380239D+01 -0.413885D+01 -0.119801D+02
      2  -0.889506D+01 -0.976794D+01  0.305032D+00 -0.319728D+01 -0.176706D+02
      3   0.565756D+01 -0.712080D+01 -0.200008D+02  0.399957D+01  0.405378D+01
                71            72            73            74            75 
      1   0.238897D+01 -0.952176D+01  0.356870D+01 -0.373915D+01  0.394935D+01
      2   0.741502D+00 -0.121161D+02 -0.106184D+01  0.179590D+01 -0.942124D+01
      3   0.402296D+01  0.913346D+01  0.678289D+01 -0.171173D+02 -0.760234D+01
                76            77            78            79            80 
      1  -0.155964D+01 -0.318283D+01  0.432114D-01  0.770939D+01  0.581987D+01
      2   0.516250D+01  0.229813D+01 -0.531395D+01 -0.239137D+02 -0.838177D+01
      3  -0.743584D+01 -0.150638D+02  0.845487D-01 -0.774027D+01  0.118450D+01
                81            82            83            84            85 
      1  -0.155295D+01 -0.346960D+01  0.679014D+01 -0.262949D+01  0.971744D+01
      2   0.524773D+01  0.474075D+01 -0.308486D+01  0.248341D+01 -0.616971D+01
      3   0.161073D+01 -0.990608D+01  0.465816D+00  0.849554D+01  0.901065D+01
                86            87            88            89            90 
      1   0.965762D+01  0.149921D+01 -0.124593D+01  0.938994D+01 -0.139832D+01
      2  -0.399462D+01 -0.138529D+01 -0.178300D+01 -0.516540D+00  0.332643D+00
      3   0.628958D+01 -0.113124D+01  0.114051D+02 -0.836438D+00  0.688463D+01
                91            92            93            94            95 
      1   0.292086D+01 -0.283125D+01 -0.583361D+01  0.404694D+00  0.274653D+01
      2  -0.992610D+01 -0.177652D+00  0.867652D+01  0.565021D+00 -0.341100D+01
      3  -0.165706D+01 -0.206538D+02 -0.362761D+01 -0.850848D+01  0.177659D+01
                96            97            98            99           100 
      1  -0.396635D+00  0.496772D+01  0.117157D+02 -0.722077D+01 -0.348607D+01
      2  -0.500033D+01 -0.370664D+01 -0.110968D+02  0.140010D+02  0.841171D+01
      3   0.491269D+01 -0.267930D+01  0.643593D+01  0.131498D+02  0.387209D+01
               101           102           103           104           105 
      1   0.416622D+00 -0.338563D+01 -0.191557D+00 -0.523462D+00 -0.132196D+01
      2   0.113278D+01  0.932874D+01  0.105503D+01  0.143907D+01  0.135921D+01
      3  -0.386390D+01  0.209724D+01 -0.262078D+00  0.857301D+00 -0.156653D+01
               106           107           108           109           110 
      1  -0.373147D+01  0.493595D+00 -0.397717D+01  0.209566D+01  0.140396D+00
      2   0.714903D+01  0.276999D+01  0.945823D+01 -0.322374D+01 -0.240245D+01
      3   0.360624D+01 -0.492271D+01  0.718573D+00  0.408415D+00 -0.213406D+01
               111           112           113           114           115 
      1  -0.289492D+01  0.160972D+01  0.976919D+00 -0.246203D+01 -0.444477D+01
      2   0.751553D+01 -0.165697D+01 -0.444727D+01  0.448171D+01  0.104036D+02
      3   0.382792D+00 -0.693721D+00 -0.272363D+01  0.267818D+01  0.664999D+00
               116           117           118           119           120 
      1   0.887331D+00  0.730168D+01 -0.111554D+01  0.140066D+01 -0.300099D+00
      2   0.625836D+01 -0.171968D+02 -0.449333D+01  0.125875D+01  0.102007D+01
      3   0.664697D+01 -0.166695D+01  0.128500D+01 -0.178555D+01  0.695827D+00
               121           122           123           124           125 
      1   0.277454D+01  0.116689D+00  0.618908D+00  0.224011D+01  0.403753D+01
      2   0.557625D+01 -0.804880D+00 -0.810401D+00 -0.286294D+01 -0.878462D+00
      3   0.123968D+01 -0.121635D+00 -0.591621D+00  0.118994D+01 -0.157876D+01
               126           127           128           129           130 
      1  -0.262169D+01  0.262477D+01 -0.199023D+01  0.396522D+01 -0.157517D+01
      2   0.449763D+01 -0.245800D+01  0.877085D+00 -0.464760D+00  0.119762D+01
      3   0.132204D+01 -0.808928D+01  0.149011D+01 -0.452388D+01  0.356775D+01
               131           132           133           134           135 
      1   0.203233D+01 -0.390594D+01  0.273513D+01 -0.244337D+01  0.872327D+01
      2  -0.115196D+01  0.108917D+01 -0.327990D+01  0.204603D+01 -0.287145D+01
      3  -0.550714D+01  0.287039D+01 -0.750348D+01  0.444161D+01 -0.619306D+01
               136           137           138           139           140 
      1  -0.377905D+00 -0.665839D+00  0.281574D+00  0.309015D+00 -0.363200D+01
      2  -0.181131D+00 -0.572471D-01  0.515420D+00 -0.521612D+00  0.320405D+01
      3  -0.129662D+01  0.719161D+00  0.333222D+00  0.407359D+01 -0.104976D+02
               141           142           143           144           145 
      1  -0.644887D+01  0.348604D+00 -0.405451D+01 -0.692240D+01  0.399822D+01
      2   0.245334D+01 -0.213363D+01  0.353106D+01  0.363075D+01 -0.779238D+01
      3  -0.461918D+01  0.215395D+01 -0.604166D+01 -0.573550D+01  0.845448D+01
               146           147           148           149           150 
      1   0.574311D+01 -0.126024D+01  0.501109D+01  0.913366D+01 -0.163283D+01
      2  -0.527707D+01 -0.120026D+01 -0.611146D+01 -0.842466D+01 -0.176528D+01
      3   0.565797D+01  0.125822D+01  0.891925D+01  0.108219D+02  0.279934D+01
               151           152           153           154           155 
      1  -0.996513D+00  0.848120D+00  0.131138D+01 -0.402431D+01  0.555677D+01
      2  -0.147270D+01 -0.895218D+00 -0.889570D+00 -0.876877D+01  0.387118D+01
      3  -0.114542D+01 -0.116531D+00  0.153896D+01 -0.520533D+00  0.435797D+00
               156           157           158           159           160 
      1  -0.212567D+01  0.479765D+01 -0.835028D+01  0.259758D+01 -0.212173D+01
      2  -0.357791D+01  0.604702D+01 -0.595515D+01  0.558594D+01 -0.483130D+01
      3   0.717624D-01  0.276096D+01 -0.127559D+01  0.103411D+01 -0.490767D+00
               161           162           163           164           165 
      1   0.467904D+01 -0.405365D+01 -0.963264D+00 -0.185115D+01  0.217972D+01
      2   0.374860D+01 -0.537523D+01  0.321843D+01  0.350374D+00  0.387824D+01
      3   0.244424D+00 -0.122816D+01 -0.197122D+01 -0.263188D+01  0.294635D+00
               166           167           168           169           170 
      1  -0.350771D+00  0.108441D+01  0.235388D+00  0.107664D+01  0.256198D+01
      2  -0.120124D+01 -0.161448D+01  0.230807D-01 -0.335723D+01 -0.170460D-01
      3   0.379748D+00  0.201496D+01  0.145201D+01  0.182146D+01  0.167993D+01
               171           172           173           174           175 
      1  -0.272664D+01  0.277169D+01  0.112288D+01  0.427838D+01  0.843048D+00
      2  -0.315094D+01  0.313496D+01  0.578785D+00  0.669845D+01  0.102683D+01
      3  -0.785963D+00 -0.259492D+01 -0.749235D+00 -0.335584D+01  0.127158D+00
               176           177           178           179           180 
      1   0.243926D+01  0.200004D+01  0.523272D+01  0.407264D+01  0.120536D+02
      2   0.237974D+01  0.403656D+01  0.542740D+01  0.961161D-01  0.196109D+02
      3  -0.166238D+01 -0.331256D+01 -0.345044D+01 -0.532478D+01 -0.483016D+01
               181           182           183           184           185 
      1  -0.109545D+01 -0.490926D+00 -0.182190D+01 -0.425441D+00 -0.252710D+01
      2   0.119898D+01  0.315997D+01 -0.566275D+00  0.217026D+01  0.422768D+01
      3   0.933800D+01  0.135090D+02 -0.245075D+01  0.898968D+01  0.268181D+02
               186           187           188           189           190 
      1  -0.371783D+01  0.230171D+00 -0.119468D+00  0.125869D+01 -0.574757D+01
      2  -0.246487D+01 -0.515284D+00 -0.312283D+01  0.213850D+01 -0.985030D+01
      3  -0.437293D+01 -0.162271D+01 -0.317188D+01  0.312326D+01 -0.378984D+01
               191           192           193           194           195 
      1   0.237467D+01  0.489507D+01  0.253139D+01 -0.210018D+01 -0.204255D+01
      2   0.470221D+01  0.967312D+01  0.388141D+01 -0.323761D+01 -0.212320D+01
      3  -0.308252D+01  0.746853D+00 -0.459808D+00  0.435039D+01  0.456227D+00
               196           197           198           199           200 
      1   0.499833D+01 -0.939091D+00 -0.371332D+01  0.482020D+00 -0.120683D+01
      2   0.840638D+01 -0.340007D+01 -0.729036D+01 -0.606370D+00  0.135023D+01
      3   0.598470D+00  0.370479D+01 -0.122067D+01  0.804699D-01 -0.561085D-01
               201           202           203           204           205 
      1  -0.574079D+00 -0.228502D+01 -0.548652D+01 -0.170460D+01 -0.594952D+01
      2  -0.421195D+00  0.232276D+01  0.100051D+01  0.671489D+00 -0.266638D+01
      3   0.518762D-01  0.318780D+01 -0.269199D+01  0.186606D+00 -0.148803D+01
               206           207           208           209           210 
      1   0.202389D+01 -0.923307D+00  0.834908D+00  0.133627D-01 -0.223324D+00
      2   0.151079D+00  0.658268D+00  0.231105D+01 -0.302938D+00  0.419205D+00
      3   0.553632D+00 -0.901717D+00  0.389534D+01  0.633061D+00 -0.142231D+00
               211           212           213           214           215 
      1  -0.281394D+00  0.781325D+00 -0.350487D+01 -0.184665D+01  0.240887D+00
      2  -0.364563D+00  0.329473D+01 -0.215369D+01 -0.394799D+01 -0.203521D+01
      3   0.581296D+01  0.141801D+02 -0.256195D+01 -0.223158D+01 -0.306689D+01
               216           217           218           219           220 
      1   0.477090D+00 -0.341666D+00 -0.566219D+00  0.156238D+01 -0.131097D+01
      2   0.634816D+00 -0.127486D+01  0.971938D+00 -0.206590D+01  0.191711D+01
      3   0.180951D+01 -0.632645D+00  0.311810D+01 -0.196591D+01  0.599421D+00
               221           222           223           224           225 
      1   0.138314D+01 -0.283912D+01 -0.232072D+01 -0.360854D+01  0.125623D+02
      2  -0.364196D+01  0.460545D+01  0.104878D+01  0.892957D+01 -0.236702D+02
      3  -0.556212D+01  0.375840D+01  0.490922D-01  0.677988D+01 -0.914365D+01
               226           227           228           229           230 
      1  -0.225521D+01 -0.540025D+00 -0.220806D+01 -0.638846D+00 -0.631910D+00
      2   0.567291D+01  0.159787D+01  0.659823D+01  0.118955D+01  0.143650D+01
      3   0.427991D+01 -0.496256D+01  0.660284D+00  0.581198D+00 -0.104762D+01
               231           232           233           234           235 
      1  -0.142861D+01 -0.116889D+01 -0.807111D-01 -0.339649D+00 -0.416013D+00
      2   0.159769D+01  0.328924D+01  0.210281D+01  0.116168D+01  0.335688D+01
      3  -0.947029D+00  0.488340D+00 -0.194526D+01 -0.124320D+01 -0.559071D+01
               236           237           238           239           240 
      1   0.354090D+01  0.298832D+01  0.177117D+01 -0.493630D+01 -0.435619D+01
      2  -0.313509D+01 -0.318399D+01 -0.127155D+01  0.598621D+01  0.512946D+01
      3   0.118259D+02  0.496190D+01  0.624146D+01 -0.183243D+02 -0.671941D+01
               241           242           243 
      1   0.480601D-02 -0.444703D+01 -0.415650D+01
      2  -0.140586D+01  0.773948D+01  0.565722D+01
      3   0.335462D+01 -0.105361D+02 -0.934433D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.737491D+01  0.710786D+01  0.854188D+01  0.427395D+01  0.198017D+02
      2   0.507060D+01 -0.195327D+02 -0.118873D+02 -0.157027D+02 -0.109475D+02
      3  -0.124455D+02  0.124248D+02  0.334537D+01  0.114288D+02 -0.885430D+01
      4   0.812853D+01  0.660900D+01 -0.129864D+02  0.848059D+01 -0.264751D+01
      5   0.217157D+02 -0.130092D+02 -0.255528D+02 -0.131415D+02 -0.233271D+01
      6  -0.894309D+01 -0.711292D+01  0.118633D+02 -0.745102D+01 -0.656266D+01
                 6             7             8             9            10 
      1  -0.931259D+01  0.449275D+01 -0.117307D+02 -0.181014D+02 -0.819386D+01
      2  -0.463486D+00 -0.889338D+01  0.150384D+01  0.946143D+01  0.269485D+01
      3   0.977608D+01  0.440063D+01  0.102269D+02  0.863994D+01  0.549901D+01
      4   0.821608D+01 -0.152756D+02  0.763179D+01  0.368880D+01 -0.166294D+02
      5   0.103084D+01 -0.250056D+02  0.572024D+01  0.794122D+01 -0.114389D+02
      6  -0.396157D+01  0.114866D+02 -0.309014D+01  0.590198D+01  0.948708D+01
                11            12            13            14            15 
      1  -0.100253D+02 -0.101039D+01  0.537838D+00 -0.274172D+02  0.853999D+01
      2   0.129030D+02  0.816229D+00  0.177761D+01  0.135259D+02 -0.147466D+01
      3  -0.287767D+01  0.194164D+00 -0.231545D+01  0.138913D+02 -0.706533D+01
      4  -0.120860D+02  0.117490D+02 -0.181897D+02 -0.184978D+02 -0.699473D+01
      5   0.111907D+02  0.153029D+02  0.137793D+02 -0.232784D+01  0.563952D+01
      6  -0.768987D+01 -0.265704D+01 -0.267696D+01  0.109542D+02 -0.530295D+00
                16            17            18            19            20 
      1   0.936249D+00  0.144743D+02  0.147990D+02  0.451869D+02  0.905559D+01
      2  -0.789356D+01 -0.440379D+01 -0.112876D+02 -0.204925D+02 -0.101773D+02
      3   0.695731D+01 -0.100705D+02 -0.351140D+01 -0.246944D+02  0.112170D+01
      4   0.182412D+02 -0.147107D+02  0.134388D+01  0.127769D+02 -0.733178D+01
      5   0.240123D+02  0.112793D+01  0.970988D+01 -0.658853D+01 -0.248654D+01
      6  -0.414129D+01 -0.449697D+00 -0.814153D+01 -0.101548D+02 -0.953057D+00
                21            22            23            24            25 
      1   0.526521D+01 -0.453304D+00  0.253624D+01 -0.333185D+01  0.208902D+02
      2   0.194522D+01 -0.184909D+01 -0.586036D+01  0.746850D+00  0.846360D+01
      3  -0.721043D+01  0.230240D+01  0.332412D+01  0.258500D+01 -0.293538D+02
      4  -0.467727D+01 -0.513755D+01 -0.158174D+01  0.435603D+01 -0.130560D+02
      5  -0.695468D+01 -0.641589D+01  0.117083D+01  0.478745D+01 -0.182136D+02
      6   0.342017D+00 -0.994194D+00 -0.419450D+01  0.258853D+01 -0.148030D+01
                26            27            28            29            30 
      1  -0.838328D+01  0.122637D+02 -0.120151D+03  0.871219D+01 -0.121724D+02
      2   0.441477D+01  0.136370D+02  0.503771D+02 -0.527801D+01  0.465702D+01
      3   0.396851D+01 -0.259008D+02  0.697737D+02 -0.343418D+01  0.751534D+01
      4   0.102698D+02  0.186573D+01  0.145341D+02 -0.927517D+01  0.114730D+01
      5   0.498135D+01 -0.157782D+02 -0.115669D+01 -0.745465D+00 -0.852673D+01
      6   0.372419D+01  0.114579D+01  0.974732D+01  0.251720D+01  0.106776D+01
                31            32            33            34            35 
      1   0.470468D+02 -0.653402D+01  0.142459D+01 -0.422487D+02 -0.167440D+01
      2  -0.229688D+02  0.221249D+01  0.394804D+00  0.128556D+02  0.340180D+01
      3  -0.240780D+02  0.432153D+01 -0.181939D+01  0.293930D+02 -0.172739D+01
      4  -0.150034D+02 -0.331677D+01  0.789125D+00  0.652193D+01 -0.343842D+01
      5   0.713685D+01  0.192908D+01  0.148215D+01 -0.799604D+01  0.210723D+00
      6   0.980159D+00  0.884959D+01 -0.763179D+00  0.100784D+01  0.285462D+01
                36            37            38            39            40 
      1  -0.297692D+02  0.161057D+03 -0.236688D+02  0.276831D+02 -0.239502D+02
      2   0.443898D-01 -0.704374D+02  0.110184D+02 -0.984818D+01  0.789148D+01
      3   0.297248D+02 -0.906197D+02  0.126504D+02 -0.178350D+02  0.160587D+02
      4   0.427010D+01 -0.445028D+02  0.141416D+02 -0.545009D+01  0.161598D+02
      5  -0.123805D+02  0.211185D+02 -0.189990D+01  0.178375D+02  0.244809D+01
      6   0.313284D+01 -0.102107D+02 -0.133918D+01 -0.191054D+01 -0.756134D+00
                41            42            43            44            45 
      1   0.130772D+02 -0.765367D+01  0.404383D+02 -0.869642D+01  0.792046D+01
      2  -0.117765D+02  0.320739D+01 -0.184506D+02  0.727215D+01 -0.690787D+01
      3  -0.130064D+01  0.444627D+01 -0.219877D+02  0.142427D+01 -0.101258D+01
      4   0.138737D+02 -0.484610D+01 -0.575785D+01 -0.622301D+01 -0.575935D+01
      5  -0.650908D+01 -0.169102D+01  0.277710D+02 -0.593199D+01  0.583244D+01
      6   0.386489D+01  0.353447D+01 -0.842886D+01  0.636241D+01  0.881354D+00
                46            47            48            49            50 
      1  -0.147096D+03  0.367863D+02 -0.246856D+02  0.629776D+02 -0.238812D+02
      2   0.670408D+02 -0.168888D+02  0.136221D+02 -0.372845D+02  0.516528D+01
      3   0.800552D+02 -0.198975D+02  0.110635D+02 -0.256931D+02  0.187159D+02
      4   0.675543D+02 -0.352200D+02  0.156090D+02 -0.369615D+02 -0.130496D+02
      5  -0.388214D+02  0.116249D+02 -0.244761D+02  0.234554D+02 -0.719090D+00
      6   0.159031D+02 -0.565603D+01  0.227829D+01 -0.323316D+00  0.391576D+01
                51            52            53            54            55 
      1   0.149149D+02 -0.532825D+02  0.130001D+02 -0.143565D+02  0.169228D+03
      2  -0.119360D+02  0.254637D+02 -0.365434D+01  0.267071D+01 -0.824463D+02
      3  -0.297887D+01  0.278188D+02 -0.934580D+01  0.116858D+02 -0.867819D+02
      4  -0.627433D+00  0.284701D+02 -0.324567D+01  0.716790D+01 -0.673734D+02
      5   0.507563D+01 -0.698209D+01  0.510764D+01 -0.117616D+02  0.349174D+02
      6  -0.627888D+01  0.928332D+00  0.188134D+01  0.454639D+01 -0.874732D+01
                56            57            58            59            60 
      1  -0.395742D+02  0.257423D+02 -0.102373D+03  0.299982D+02 -0.142642D+02
      2   0.146918D+02 -0.156805D+02  0.421205D+02 -0.309743D+01  0.824781D+01
      3   0.248824D+02 -0.100618D+02  0.602528D+02 -0.269008D+02  0.601636D+01
      4   0.423255D+02 -0.117873D+02  0.700703D+02 -0.486490D+02  0.144414D+02
      5  -0.973073D+01  0.303101D+02 -0.236970D+02  0.117709D+02 -0.174530D+02
      6   0.387785D+01 -0.604267D+01  0.981601D+01 -0.576231D+01  0.116453D+02
                61            62            63            64            65 
      1   0.499553D+02 -0.623845D+01  0.255055D+02 -0.258923D+02  0.294364D+02
      2  -0.284748D+02  0.447214D+01 -0.193597D+02  0.763748D+01 -0.262977D+02
      3  -0.214805D+02  0.176631D+01 -0.614585D+01  0.182548D+02 -0.313870D+01
      4  -0.192010D+02  0.110613D+02 -0.210903D+02  0.253084D+02  0.616920D+01
      5   0.485385D+02 -0.196768D+02  0.304347D+02  0.143883D+02 -0.155866D+02
      6  -0.997022D+01  0.110754D+02 -0.819397D+01 -0.102943D+02  0.147076D+02
                66            67            68            69            70 
      1   0.980800D+01  0.203961D+02  0.289347D+02 -0.179833D+02  0.173797D+02
      2   0.577719D+01 -0.164231D+02 -0.262557D+02  0.113339D+02  0.524453D+01
      3  -0.155852D+02 -0.397295D+01 -0.267896D+01  0.664940D+01 -0.226242D+02
      4  -0.201424D+02  0.695895D+01  0.363249D+01  0.979346D+01 -0.266936D+02
      5  -0.181246D+02 -0.174261D+02  0.758111D+01 -0.108757D+02 -0.246349D+02
      6   0.630094D+01  0.119764D+02  0.175563D+00  0.336873D+01  0.887998D+01
                71            72            73            74            75 
      1  -0.210017D+02 -0.226869D+02 -0.178868D+01 -0.135731D+02 -0.208664D+02
      2   0.108274D+02  0.237676D+02  0.452953D+00  0.100308D+02  0.127186D+02
      3   0.101743D+02 -0.108070D+01  0.133573D+01  0.354233D+01  0.814777D+01
      4   0.143511D+02  0.285453D+01 -0.135601D+02  0.531897D+01 -0.120238D+01
      5  -0.422196D+01 -0.292849D+02 -0.965412D+01  0.320794D+01 -0.220487D+02
      6   0.332423D+01  0.714821D+01 -0.333594D+01  0.713057D+01 -0.684712D+01
                76            77            78            79            80 
      1  -0.155762D+02  0.173259D+02  0.670451D+01 -0.230385D+02  0.248868D+01
      2   0.162433D+02 -0.261819D+01 -0.505396D+01  0.137645D+02 -0.179085D+01
      3  -0.667099D+00 -0.147077D+02 -0.165055D+01  0.927399D+01 -0.697834D+00
      4   0.131246D+02  0.346381D+02  0.434275D+01  0.581098D+01  0.949500D+01
      5   0.102888D+02 -0.173330D+01 -0.114855D+02 -0.367681D+02 -0.155232D+02
      6   0.299833D+01 -0.642863D+00 -0.427718D+01 -0.132963D+02 -0.577695D+01
                81            82            83            84            85 
      1  -0.232667D+02 -0.179374D+02 -0.134581D+01  0.144354D+02  0.148799D+01
      2   0.156028D+02  0.159543D+02  0.701819D+01 -0.140189D+02  0.223713D+01
      3   0.766392D+01  0.198308D+01 -0.567238D+01 -0.416472D+00 -0.372511D+01
      4  -0.205748D+02  0.679582D+00  0.103375D+02  0.254128D+01  0.978699D+01
      5   0.993111D+01  0.668532D+01 -0.285679D+01  0.168350D+01 -0.614767D+01
      6   0.830803D+01  0.924382D+01 -0.639038D+01  0.331071D+01 -0.421881D+01
                86            87            88            89            90 
      1   0.113924D+02  0.505105D+01  0.172417D+02  0.108233D+02  0.147090D+02
      2  -0.650058D+01 -0.889607D+01 -0.164731D+02 -0.172712D+02 -0.168469D+02
      3  -0.489177D+01  0.384502D+01 -0.768581D+00  0.644789D+01  0.213790D+01
      4  -0.456478D+01 -0.127932D+02  0.160329D+01 -0.182383D+02 -0.285494D+01
      5  -0.658509D+01 -0.348371D+01  0.364575D+01 -0.521237D+01 -0.207171D+00
      6  -0.176922D+02 -0.142226D+02  0.337688D+01 -0.194899D+02 -0.279051D+01
                91            92            93            94            95 
      1  -0.608417D+02 -0.294798D+02 -0.146697D+02 -0.120830D+02  0.194293D+02
      2   0.264211D+02  0.230833D+02  0.112515D+02  0.133509D+02 -0.419601D+01
      3   0.344206D+02  0.639658D+01  0.341821D+01 -0.126790D+01 -0.152333D+02
      4  -0.255770D+02  0.167790D+02 -0.542761D+01  0.203041D+02  0.159712D+02
      5  -0.128669D+02 -0.256594D+01  0.122716D+02 -0.210775D+01 -0.783891D+01
      6  -0.605476D+01  0.208478D+01  0.760531D+01 -0.236708D+00 -0.883132D+01
                96            97            98            99           100 
      1   0.288079D+01 -0.218844D+02  0.396052D+00  0.203510D+02  0.515208D+02
      2  -0.754772D+01  0.116461D+02 -0.103197D+02 -0.839321D+01 -0.267807D+02
      3   0.466693D+01  0.102383D+02  0.992369D+01 -0.119577D+02 -0.247402D+02
      4  -0.632440D+01 -0.642459D+01 -0.565316D+01 -0.134842D+02  0.232463D+02
      5  -0.921775D+01  0.362855D+01 -0.159709D+02  0.253227D+02  0.232344D+02
      6  -0.380531D+01  0.205127D+01 -0.113297D+02  0.132670D+02  0.545615D+01
               101           102           103           104           105 
      1   0.955160D+01  0.193556D+02  0.297793D+01  0.442330D+01 -0.578886D+00
      2  -0.297113D+01 -0.106791D+02  0.225041D+00 -0.117815D+01  0.170001D+01
      3  -0.658048D+01 -0.867645D+01 -0.320297D+01 -0.324516D+01 -0.112112D+01
      4   0.129458D+02  0.772393D+01  0.104850D+02  0.408532D+01  0.531065D+01
      5   0.365396D+01  0.186060D+02  0.152325D+01  0.540808D+01  0.300003D+01
      6   0.169984D+01  0.521415D+01  0.240459D+01  0.251337D+01  0.375684D+01
               106           107           108           109           110 
      1   0.307901D+02  0.308771D+01  0.172257D+02  0.228821D+02  0.844192D+01
      2  -0.176907D+02  0.513284D+00 -0.128379D+02 -0.131451D+02 -0.400370D+01
      3  -0.130994D+02 -0.360099D+01 -0.438775D+01 -0.973694D+01 -0.443822D+01
      4   0.140930D+02  0.105242D+02  0.117805D+02  0.177651D+02  0.104001D+02
      5   0.259739D+02  0.742360D+01  0.208955D+02 -0.171722D+02 -0.716623D+01
      6   0.747970D+01  0.468282D+01  0.623757D+01 -0.754955D+01 -0.426532D+01
               111           112           113           114           115 
      1  -0.824027D+01  0.672870D+01 -0.916744D+00 -0.998955D+00 -0.160403D+02
      2   0.568018D+01 -0.215051D+01  0.371242D+01 -0.903370D+00  0.119890D+02
      3   0.256009D+01 -0.457819D+01 -0.279568D+01  0.190232D+01  0.405122D+01
      4  -0.907899D+01  0.133426D+02  0.103550D+02 -0.110956D+02 -0.203486D+02
      5   0.178961D+02 -0.774897D+01 -0.971047D+01  0.913167D+01  0.317960D+02
      6   0.637208D+01 -0.637915D+01 -0.710009D+01  0.844631D+01  0.136537D+02
               116           117           118           119           120 
      1  -0.274644D+01  0.866054D+01 -0.330916D+01  0.307452D+00 -0.163910D+01
      2   0.510243D-01 -0.136661D+02 -0.487222D+01  0.823482D+00 -0.420085D+01
      3   0.269542D+01  0.500554D+01  0.818138D+01 -0.113093D+01  0.583995D+01
      4  -0.184425D+02  0.192091D+02 -0.239238D-01  0.386087D+01  0.469152D+00
      5   0.150666D+02 -0.361250D+02  0.861214D+01 -0.881688D+00  0.118478D+02
      6   0.114373D+02 -0.172556D+02  0.647057D+00  0.125772D+01  0.200119D+00
               121           122           123           124           125 
      1   0.700247D+01 -0.468264D+01  0.276740D+01 -0.994246D+01  0.234298D+00
      2  -0.191946D+01 -0.364151D+00  0.131369D+01 -0.601078D+01  0.335912D+01
      3  -0.508301D+01  0.504679D+01 -0.408109D+01  0.159532D+02 -0.359342D+01
      4   0.413896D+01  0.639076D+00  0.295867D+01  0.130136D+01  0.373233D+01
      5  -0.137958D+01  0.303133D+01 -0.221704D+01  0.175961D+02 -0.271120D+01
      6   0.147334D+01 -0.145244D+01  0.691152D+01  0.146041D+01  0.448825D+01
               126           127           128           129           130 
      1  -0.245643D+02 -0.304103D+01  0.754730D+01 -0.552228D+01  0.465092D+01
      2  -0.189202D+02  0.286339D+01 -0.968345D+01  0.502273D+01 -0.535205D+01
      3   0.434844D+02  0.177641D+00  0.213615D+01  0.499543D+00  0.701129D+00
      4  -0.462777D+00 -0.519055D+01  0.344589D+00 -0.238703D+01  0.211523D+01
      5   0.234548D+02 -0.488868D+00  0.527069D+00 -0.816962D+00  0.559437D+00
      6   0.909723D+00 -0.574283D+01  0.383727D+01 -0.572363D+01  0.260656D+01
               131           132           133           134           135 
      1  -0.131179D+02  0.520744D+01 -0.901013D+01  0.962988D+01 -0.135560D+02
      2   0.155438D+02 -0.533556D+01  0.610030D+01 -0.105906D+02  0.926502D+01
      3  -0.242590D+01  0.128118D+00  0.290983D+01  0.960671D+00  0.429097D+01
      4   0.208992D+00  0.817532D+00 -0.486569D+01 -0.691359D+00 -0.805305D+00
      5  -0.831692D+00  0.169850D+01 -0.258882D+00  0.259267D+01 -0.410980D+01
      6  -0.495590D+01  0.858494D+01 -0.446673D+01  0.112477D+02 -0.131105D+02
               136           137           138           139           140 
      1  -0.121217D+01  0.367383D+01  0.523805D+00  0.197165D+01 -0.311215D+02
      2   0.278659D+01 -0.201558D+01  0.465665D+00  0.667052D+00  0.413773D+02
      3  -0.157441D+01 -0.165825D+01 -0.989470D+00 -0.263871D+01 -0.102558D+02
      4   0.538485D+01  0.794779D+01  0.342939D+01  0.811841D+01  0.207794D+02
      5   0.109039D+01  0.319745D+01  0.351868D+01  0.257574D+01  0.903165D+01
      6   0.359218D+01  0.104981D+01 -0.225944D+00  0.198635D+01  0.268907D+02
               141           142           143           144           145 
      1  -0.150315D+02 -0.446391D+00 -0.214297D+02 -0.181867D+02 -0.775501D+01
      2   0.166012D+02  0.253541D+01  0.224252D+02  0.130265D+02  0.691791D+01
      3  -0.156966D+01 -0.208902D+01 -0.995436D+00  0.516022D+01  0.837103D+00
      4   0.976959D+01  0.498067D+01  0.147508D+02  0.929023D+01  0.258887D+01
      5   0.607096D+01  0.340342D+01  0.964794D+01  0.844357D+01  0.370208D+01
      6   0.190459D+02  0.125074D+01  0.253206D+02  0.217458D+02  0.593144D+01
               146           147           148           149           150 
      1  -0.108612D+02 -0.639193D+01 -0.896687D+01 -0.219529D+02 -0.681763D+01
      2   0.118500D+02  0.186775D+01  0.105235D+02  0.248842D+02  0.200757D+01
      3  -0.988740D+00  0.452418D+01 -0.155659D+01 -0.293129D+01  0.481006D+01
      4   0.147828D+00  0.108165D+01  0.214564D+01 -0.615608D+01 -0.249314D+01
      5   0.448730D+01  0.264528D+01  0.615714D+01  0.257372D+01 -0.232260D+01
      6   0.968522D+01  0.364141D+01  0.691131D+01  0.178016D+02  0.915098D+01
               151           152           153           154           155 
      1  -0.193292D+01 -0.100004D+01 -0.223928D+01 -0.631583D+01  0.273975D+01
      2  -0.151610D+00 -0.178858D+01  0.107541D+01 -0.173170D+01  0.305078D+01
      3   0.208453D+01  0.278862D+01  0.116387D+01  0.804754D+01 -0.579052D+01
      4   0.101078D+01  0.439102D+00 -0.532195D+00  0.265341D+01 -0.284328D+01
      5   0.278254D+01 -0.403255D+00  0.244126D+00  0.173692D+01 -0.652512D+00
      6   0.172008D+01  0.515426D+01  0.209140D+01 -0.225285D+01  0.534740D+01
               156           157           158           159           160 
      1  -0.901475D+01  0.453054D+01 -0.927426D+01  0.103581D+02 -0.536181D+01
      2  -0.204525D+01  0.124843D+01  0.151675D+01  0.435058D+01 -0.127135D+01
      3   0.110600D+02 -0.577897D+01  0.775751D+01 -0.147087D+02  0.663315D+01
      4   0.333109D+01 -0.337746D+01  0.733637D+01 -0.440505D+01  0.326568D+01
      5   0.351153D+01 -0.172550D+01  0.441707D+00  0.400527D+01  0.492080D+01
      6  -0.289460D+01  0.416611D+01 -0.879390D+01  0.579619D+01 -0.317571D+01
               161           162           163           164           165 
      1   0.634971D+01 -0.100731D+02  0.161307D+02 -0.183168D+01 -0.370051D+01
      2   0.251901D+01 -0.669626D+01 -0.177306D+02  0.337992D+01  0.154132D+02
      3  -0.886872D+01  0.167693D+02  0.159989D+01 -0.154825D+01 -0.117127D+02
      4  -0.314685D+01  0.376882D+01 -0.136645D+02  0.100144D+02  0.102701D+02
      5  -0.131244D+00 -0.216774D+01 -0.337243D+02  0.108032D+02  0.313870D+02
      6   0.605973D+01 -0.471353D+01  0.895537D+01 -0.742385D+01 -0.101179D+02
               166           167           168           169           170 
      1  -0.130339D+01 -0.179351D+01 -0.125921D+01 -0.410722D+01 -0.989169D+00
      2   0.191443D+01  0.152787D+00 -0.431378D+00  0.130611D+02 -0.200638D+01
      3  -0.611041D+00  0.164072D+01  0.169059D+01 -0.895389D+01  0.299555D+01
      4   0.762845D+01 -0.605978D+01 -0.736724D+01  0.836187D+01 -0.612376D+01
      5   0.653066D+01 -0.758782D+01 -0.616325D+01  0.251631D+02 -0.865354D+01
      6  -0.517861D+01  0.636285D+01  0.833825D+01 -0.781339D+01  0.750252D+01
               171           172           173           174           175 
      1  -0.254559D+01  0.161545D+02 -0.261704D+01  0.990554D+01  0.482007D+01
      2  -0.167487D+02 -0.118552D+02  0.130210D+01 -0.107196D+02 -0.348471D+01
      3   0.192943D+02 -0.429926D+01  0.131494D+01  0.814106D+00 -0.133536D+01
      4  -0.873617D+01 -0.628423D+01  0.330606D+01 -0.145328D+01  0.970731D+00
      5  -0.294427D+02  0.147124D+02  0.101795D+01  0.193854D+02  0.636622D+01
      6   0.107226D+02 -0.309707D+01  0.820144D-01 -0.561722D+01 -0.306323D+00
               176           177           178           179           180 
      1  -0.183304D+01  0.478351D+01  0.129255D+02  0.261298D+01  0.859891D+01
      2  -0.127237D+00 -0.724695D+01 -0.142938D+02 -0.487482D+01 -0.241373D+02
      3   0.196027D+01  0.246343D+01  0.136829D+01  0.226184D+01  0.155383D+02
      4   0.367471D+01  0.433597D+01 -0.487827D+01  0.833378D+01 -0.515500D+01
      5   0.477052D+01  0.888071D+01  0.267493D+02 -0.108573D+01  0.466290D+02
      6   0.687112D-01  0.180629D+01 -0.829738D+01  0.530579D+01 -0.165160D+02
               181           182           183           184           185 
      1  -0.852215D+01 -0.206333D+02  0.233936D+01 -0.141660D+02 -0.344400D+02
      2   0.894978D+01  0.227985D+02 -0.272188D+01  0.108427D+02  0.468635D+02
      3  -0.427624D+00 -0.216527D+01  0.382521D+00  0.332333D+01 -0.124234D+02
      4   0.514783D+00 -0.707229D+01  0.346071D+01  0.503286D+01 -0.273562D+02
      5  -0.307668D+01  0.185090D+01 -0.936344D+00 -0.795951D+00  0.246379D+01
      6  -0.107109D+01 -0.654721D+01  0.441483D+01 -0.256638D+01 -0.121861D+02
               186           187           188           189           190 
      1   0.679469D+01 -0.399109D+00  0.654323D+01 -0.372694D+01  0.619096D+02
      2  -0.611776D+01 -0.136723D+01 -0.435129D+01  0.280923D+01 -0.243737D+02
      3  -0.676929D+00  0.176634D+01 -0.219194D+01  0.917709D+00 -0.375360D+02
      4   0.358183D+01  0.250960D+01  0.989541D+00 -0.339493D+01 -0.417114D+02
      5  -0.397763D+01  0.302087D+01 -0.358615D+01  0.429427D+01 -0.144166D+02
      6   0.823608D+01  0.856890D+00  0.823564D+01 -0.429459D+01  0.710266D+01
               191           192           193           194           195 
      1  -0.201548D+02 -0.145491D+02 -0.119424D+02  0.532973D+01  0.401157D+01
      2   0.425426D+01  0.462889D+01  0.141374D+00  0.513343D+01 -0.280367D-01
      3   0.159006D+02  0.992021D+01  0.118010D+02 -0.104632D+02 -0.398354D+01
      4   0.236735D+02  0.103575D+02  0.202281D+02 -0.170534D+02 -0.697223D+01
      5   0.570787D+01  0.149107D+02  0.483913D+01 -0.506693D+01 -0.233434D+01
      6  -0.390220D+01 -0.696091D+01 -0.374941D+01  0.214846D+01  0.316579D+01
               196           197           198           199           200 
      1  -0.273269D+02  0.912862D+01  0.126308D+02  0.604162D+00  0.157712D+01
      2   0.904968D+01 -0.109549D+00 -0.756162D+01 -0.880497D+00 -0.237243D-01
      3   0.182772D+02 -0.901907D+01 -0.506915D+01  0.276335D+00 -0.155340D+01
      4   0.228343D+02 -0.171450D+02 -0.100072D+02  0.383408D+01  0.561183D+01
      5   0.183378D+02 -0.675634D+01 -0.121477D+02 -0.130964D+01 -0.199345D+01
      6  -0.867667D+01  0.459470D+01  0.674063D+01 -0.245300D+01 -0.661578D+00
               201           202           203           204           205 
      1  -0.145168D+01  0.214890D+01 -0.131575D+02  0.611097D+01 -0.147853D+01
      2   0.582616D+00 -0.574548D+00  0.130276D+02 -0.261821D+01  0.299484D+01
      3   0.869064D+00 -0.157435D+01  0.129959D+00 -0.349276D+01 -0.151631D+01
      4  -0.110847D+01  0.506373D+01  0.886299D+01 -0.299887D+01 -0.138460D+01
      5   0.138237D+01 -0.231609D+01 -0.385075D+01  0.250136D+01  0.205895D+01
      6   0.543979D+00 -0.590918D+00 -0.110377D+02  0.638417D+01  0.214954D+01
               206           207           208           209           210 
      1   0.492454D+01 -0.113044D+01 -0.123596D+01 -0.160511D+01  0.345318D+00
      2  -0.245748D+01  0.769644D+00  0.285683D+01  0.973193D+00 -0.766019D-01
      3  -0.246706D+01  0.360795D+00 -0.162087D+01  0.631918D+00 -0.268716D+00
      4  -0.126501D+01  0.460963D+00 -0.135863D+01  0.525291D+01 -0.100919D+01
      5   0.168748D+01 -0.189831D+00  0.858510D+00 -0.502831D+00  0.754602D+00
      6   0.475822D+01 -0.358657D+01 -0.525509D+00  0.119073D+01 -0.135358D+00
               211           212           213           214           215 
      1  -0.521598D+01 -0.210984D+02  0.318218D+01  0.238892D+01  0.477118D+01
      2   0.239236D+01  0.271144D+02 -0.317348D+01 -0.313047D+00 -0.502121D+01
      3   0.282361D+01 -0.601597D+01 -0.869389D-02 -0.207587D+01  0.250030D+00
      4   0.328645D+01 -0.205090D+02  0.307308D+01 -0.143586D+01  0.511886D+01
      5  -0.535667D+00  0.229980D+01 -0.248987D+01 -0.842694D+00 -0.239397D+01
      6   0.446565D+00 -0.183787D+01  0.464638D+01  0.143028D+01  0.392132D+01
               216           217           218           219           220 
      1  -0.414060D+01  0.560953D+01  0.650337D+01 -0.630708D+01  0.510867D+01
      2   0.339313D+01 -0.404983D+01 -0.488547D+01  0.211228D+01 -0.234432D+01
      3   0.747475D+00 -0.155970D+01 -0.161790D+01  0.419479D+01 -0.276435D+01
      4  -0.280307D+01  0.226662D+01 -0.331625D+01 -0.981536D+00  0.318500D+01
      5   0.165103D+01 -0.324791D+01  0.505543D+00 -0.550698D+00 -0.353153D+00
      6  -0.224441D+01 -0.232291D+01  0.119016D+01 -0.274610D+01 -0.120830D+01
               221           222           223           224           225 
      1  -0.785800D+01  0.490780D+01 -0.883863D+01  0.485134D+01 -0.170144D+02
      2   0.641948D+01 -0.387771D+01  0.479704D+01 -0.258458D+01 -0.393895D+01
      3   0.143852D+01 -0.103009D+01  0.404159D+01 -0.226677D+01  0.209534D+02
      4   0.859874D+01 -0.663517D+01 -0.104359D+02 -0.160611D+02  0.144470D+02
      5  -0.715148D+01  0.867774D+01  0.975171D+01  0.166158D+02 -0.439736D+02
      6  -0.589084D+01  0.976585D+01  0.373714D+01  0.136868D+02 -0.239495D+02
               226           227           228           229           230 
      1   0.880096D+02  0.207536D+02  0.652317D+01  0.809703D+01  0.817021D+01
      2  -0.400241D+02 -0.595532D+01 -0.289846D+01  0.296365D+00 -0.672842D+00
      3  -0.479855D+02 -0.147983D+02 -0.362471D+01 -0.839340D+01 -0.749737D+01
      4   0.433590D+02  0.222075D+02  0.356493D+01  0.154151D+02  0.977377D+01
      5   0.374707D+01  0.126378D+01  0.120337D+02  0.898105D+00  0.197125D+01
      6   0.306017D+01  0.627054D+00  0.410199D+01  0.649551D-01  0.124897D+01
               231           232           233           234           235 
      1   0.395787D+00  0.127063D+02  0.278231D+01  0.784339D+01 -0.515137D+01
      2   0.100638D+01 -0.616427D+01  0.217351D+00 -0.469666D+01  0.518374D+01
      3  -0.140216D+01 -0.654203D+01 -0.299966D+01 -0.314673D+01 -0.323641D-01
      4   0.240793D+01  0.713309D+01  0.504305D+01  0.674890D+01 -0.604354D+00
      5   0.235769D+01  0.125166D+02  0.528329D+01  0.246791D+01  0.451564D+01
      6   0.221676D+01  0.411424D+01  0.323961D+01  0.704933D+00  0.362928D+01
               236           237           238           239           240 
      1   0.153285D+02  0.918175D+01  0.151971D+02 -0.215024D+02 -0.867639D+01
      2  -0.155411D+02 -0.649918D+01 -0.966558D+01  0.272703D+02  0.993990D+01
      3   0.212540D+00 -0.268257D+01 -0.553152D+01 -0.576789D+01 -0.126351D+01
      4  -0.100055D+02 -0.233776D+00  0.304641D+01  0.211263D+02  0.643102D+01
      5  -0.215150D+01 -0.527958D+01 -0.276742D+01  0.780142D+01  0.937189D+01
      6  -0.434366D+01 -0.537787D+01 -0.212247D+01  0.895541D+01  0.846731D+01
               241           242           243 
      1   0.104789D+02 -0.100807D+02 -0.131616D+02
      2  -0.523196D+01  0.123744D+02  0.846429D+01
      3  -0.524689D+01 -0.229368D+01  0.469733D+01
      4   0.361977D+01  0.126441D+02  0.876377D+01
      5  -0.547023D+00  0.109079D+02  0.738840D+01
      6  -0.172235D+01  0.115225D+02  0.812171D+01
 Leave Link  716 at Thu Aug 12 21:04:02 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.170418D+03 -0.588551D+01  0.707199D+01
      2  -0.588551D+01  0.120244D+03 -0.319072D+01
      3   0.707199D+01 -0.319072D+01  0.102018D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.298607D+01 -0.173709D+01 -0.110757D+02
      2   0.453485D+02 -0.146710D+02 -0.346702D+02
      3  -0.287946D+01  0.182792D+02  0.124458D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.714627D+02 -0.165143D+02  0.359986D+02
      2  -0.191169D+02  0.178937D+02 -0.182765D+02
      3  -0.523459D+02 -0.137936D+01 -0.177221D+02
      4   0.139611D+01 -0.325359D+02 -0.339090D+02
      5   0.319382D+02 -0.321328D+02 -0.863114D+02
      6  -0.111816D+02 -0.447274D+01  0.270554D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.375999D+01 -0.190830D+01 -0.400072D+01 -0.101407D+01 -0.386396D+01
      2  -0.190830D+01 -0.379480D+01  0.218940D+01 -0.386396D+01 -0.193612D+01
      3  -0.400072D+01  0.218940D+01  0.349983D+01  0.221686D+01 -0.202384D+01
                 6             7             8             9            10 
      1   0.221686D+01 -0.325099D+01  0.265362D+01  0.325144D+01 -0.262612D+02
      2  -0.202384D+01  0.265362D+01 -0.129385D+01  0.851661D+00  0.437407D+01
      3   0.156370D+01  0.325144D+01  0.851661D+00  0.867410D+00  0.317647D+01
                11            12            13            14            15 
      1   0.437407D+01  0.317647D+01  0.145185D+02  0.155637D+01 -0.269222D+01
      2   0.259190D+01 -0.215350D+01  0.155637D+01  0.453143D+01  0.137279D+01
      3  -0.215350D+01 -0.342166D+01 -0.269222D+01  0.137279D+01 -0.883930D+00
                16            17            18            19            20 
      1   0.159263D+02 -0.386641D+01 -0.564055D+01  0.407427D+02 -0.460342D+01
      2  -0.386641D+01  0.262611D+01 -0.305506D+00 -0.460342D+01  0.286544D+01
      3  -0.564055D+01 -0.305506D+00 -0.284764D+01  0.918291D+00  0.944002D+00
                21            22            23            24            25 
      1   0.918291D+00 -0.131080D+02  0.310928D+01  0.210818D+01 -0.594756D+01
      2   0.944002D+00  0.310928D+01  0.178708D+01 -0.174682D+01  0.247040D+01
      3   0.278036D+01  0.210818D+01 -0.174682D+01 -0.213738D+01  0.673068D+01
                26            27            28            29            30 
      1   0.247040D+01  0.673068D+01 -0.553477D+02  0.473118D+01 -0.467372D+01
      2  -0.267420D+01 -0.175961D+01  0.473118D+01 -0.240644D+01 -0.121182D+00
      3  -0.175961D+01  0.542399D+01 -0.467372D+01 -0.121182D+00 -0.214343D+01
                31            32            33            34            35 
      1   0.152317D+02 -0.451643D+01  0.904141D+00 -0.151070D+02 -0.194813D-01
      2  -0.451643D+01 -0.197442D+01  0.119085D+01 -0.194813D-01  0.117021D+01
      3   0.904141D+00  0.119085D+01  0.140133D+01 -0.675567D+01  0.112275D+01
                36            37            38            39            40 
      1  -0.675567D+01  0.520558D+02 -0.673631D+01  0.641866D+01 -0.115407D+02
      2   0.112275D+01 -0.673631D+01  0.113686D+01 -0.434928D+00  0.363117D+01
      3  -0.477035D+01  0.641866D+01 -0.434928D+00  0.227649D+01 -0.633253D+00
                41            42            43            44            45 
      1   0.363117D+01 -0.633253D+00  0.158004D+02 -0.999015D+00  0.550680D+01
      2   0.299942D+01 -0.162297D+01 -0.999015D+00 -0.189653D+01 -0.132509D+01
      3  -0.162297D+01 -0.168304D+01  0.550680D+01 -0.132509D+01  0.254191D+01
                46            47            48            49            50 
      1  -0.395731D+02  0.725307D+01 -0.703758D+01  0.109160D+02 -0.374428D+01
      2   0.725307D+01 -0.212173D+01  0.191657D+01 -0.374428D+01 -0.215754D+01
      3  -0.703758D+01  0.191657D+01 -0.121961D+01  0.316203D+01  0.105611D+00
                51            52            53            54            55 
      1   0.316203D+01 -0.110191D+02  0.284667D+01 -0.178540D+01  0.344388D+02
      2   0.105611D+00  0.284667D+01  0.255048D+00  0.866127D+00 -0.661644D+01
      3   0.119728D+01 -0.178540D+01  0.866127D+00 -0.754205D+00  0.549618D+01
                56            57            58            59            60 
      1  -0.661644D+01  0.549618D+01 -0.245589D+02  0.711131D+01 -0.411068D+01
      2   0.315187D+01 -0.125284D+01  0.711131D+01 -0.537691D+01  0.177043D+01
      3  -0.125284D+01  0.221235D+01 -0.411068D+01  0.177043D+01 -0.197100D+01
                61            62            63            64            65 
      1   0.123079D+02 -0.188487D+01  0.615643D+01  0.696649D+01 -0.290537D+01
      2  -0.188487D+01  0.996914D+00 -0.263055D+01 -0.290537D+01 -0.317981D+01
      3   0.615643D+01 -0.263055D+01  0.366600D+01 -0.221985D+01  0.271738D+01
                66            67            68            69            70 
      1  -0.221985D+01 -0.263276D+01 -0.227863D+01  0.293014D+01 -0.470821D+01
      2   0.271738D+01 -0.227863D+01 -0.366101D+01 -0.460883D+00  0.306648D+01
      3   0.286672D+01  0.293014D+01 -0.460883D+00  0.175655D+01  0.398585D+01
                71            72            73            74            75 
      1   0.306648D+01  0.398585D+01  0.359840D+01  0.203340D+01  0.137264D+01
      2  -0.105502D+01  0.639233D+00  0.203340D+01 -0.247432D+01 -0.849583D+00
      3   0.639233D+00  0.458862D+01  0.137264D+01 -0.849583D+00  0.299522D+01
                76            77            78            79            80 
      1   0.330148D+01 -0.276051D+01 -0.180891D+01 -0.147712D+01 -0.140030D+01
      2  -0.276051D+01 -0.567474D+01 -0.392502D+00 -0.140030D+01 -0.988371D+00
      3  -0.180891D+01 -0.392502D+00  0.142349D+01  0.517632D+01  0.212077D+01
                81            82            83            84            85 
      1   0.517632D+01  0.347994D+01 -0.233153D+01 -0.210438D+01 -0.313301D+01
      2   0.212077D+01 -0.233153D+01 -0.175914D+01  0.175970D+01 -0.226533D+01
      3  -0.125080D+01 -0.210438D+01  0.175970D+01 -0.852934D+00  0.147646D+01
                86            87            88            89            90 
      1  -0.226533D+01  0.147646D+01 -0.222679D+01  0.202822D+01 -0.120282D+01
      2   0.147402D+01  0.289670D+01  0.202822D+01  0.410085D+01  0.268488D+01
      3   0.289670D+01  0.226214D+01 -0.120282D+01  0.268488D+01 -0.470979D+00
                91            92            93            94            95 
      1  -0.905220D+01 -0.201767D+01 -0.213019D+01  0.320454D+00  0.354256D+01
      2  -0.201767D+01  0.354962D+01 -0.778612D-01  0.354256D+01  0.107654D+01
      3  -0.213019D+01 -0.778612D-01  0.178169D+01 -0.535773D-01 -0.121964D+01
                96            97            98            99           100 
      1  -0.535773D-01 -0.325113D+01 -0.186265D+00  0.447403D+00 -0.650070D+01
      2  -0.121964D+01 -0.186265D+00 -0.120434D+01 -0.271704D+01 -0.164938D+01
      3  -0.188576D+01  0.447403D+00 -0.271704D+01  0.386099D+01 -0.276302D+01
               101           102           103           104           105 
      1  -0.164938D+01 -0.276302D+01 -0.288853D+00 -0.916832D+00 -0.172184D+00
      2  -0.127101D+01 -0.496952D+00 -0.916832D+00 -0.225409D+00 -0.570788D+00
      3  -0.496952D+00 -0.222706D+01 -0.172184D+00 -0.570788D+00 -0.380036D+00
               106           107           108           109           110 
      1  -0.501201D+01 -0.794879D+00 -0.315447D+01 -0.285575D+01 -0.159481D+01
      2  -0.794879D+00 -0.137995D+01 -0.105943D+01 -0.159481D+01 -0.772776D+00
      3  -0.315447D+01 -0.105943D+01 -0.278812D+01  0.189961D+01  0.843918D+00
               111           112           113           114           115 
      1   0.189961D+01 -0.699392D+00 -0.137926D+01  0.101770D+01  0.491864D+01
      2   0.843918D+00 -0.137926D+01 -0.134367D+01  0.136202D+01  0.202011D+01
      3  -0.199629D+01  0.101770D+01  0.136202D+01 -0.131230D+01 -0.413093D+01
               116           117           118           119           120 
      1   0.202011D+01 -0.413093D+01 -0.645159D+01  0.103257D+01 -0.196587D+01
      2   0.232779D+01 -0.210196D+01  0.103257D+01 -0.537424D+00  0.306635D-01
      3  -0.210196D+01  0.521058D+01 -0.196587D+01  0.306635D-01 -0.179612D+01
               121           122           123           124           125 
      1   0.502317D+01 -0.119526D+01  0.170205D+00 -0.337498D+01 -0.110382D+00
      2  -0.119526D+01  0.184296D+00 -0.101668D+01 -0.110382D+00 -0.117690D+01
      3   0.170205D+00 -0.101668D+01  0.109850D+01 -0.368403D+01  0.931316D+00
               126           127           128           129           130 
      1  -0.368403D+01  0.204891D+01 -0.208069D+00  0.979916D+00 -0.338157D+00
      2   0.931316D+00 -0.208069D+00  0.156498D+01 -0.783082D+00  0.838367D+00
      3  -0.877168D+01  0.979916D+00 -0.783082D+00  0.128220D+01 -0.526977D+00
               131           132           133           134           135 
      1   0.838367D+00 -0.526977D+00  0.172192D+01 -0.662994D+00  0.865091D+00
      2  -0.232218D+01  0.883008D+00 -0.662994D+00  0.192996D+01 -0.176565D+01
      3   0.883008D+00 -0.118987D+01  0.865091D+00 -0.176565D+01  0.293046D+01
               136           137           138           139           140 
      1  -0.952779D+00 -0.101398D+01 -0.465412D+00 -0.179574D+00 -0.459945D+00
      2  -0.101398D+01 -0.137719D+00 -0.222275D+00 -0.459945D+00 -0.723841D+01
      3  -0.465412D+00 -0.222275D+00  0.149345D-01 -0.288441D+00 -0.341945D+01
               141           142           143           144           145 
      1  -0.288441D+00 -0.104737D+01 -0.509483D+00  0.457739D-01  0.219939D+01
      2  -0.341945D+01 -0.509483D+00 -0.487261D+01 -0.353019D+01  0.191987D+01
      3  -0.241009D+01  0.457739D-01 -0.353019D+01 -0.327612D+01  0.615456D+00
               146           147           148           149           150 
      1   0.191987D+01  0.615456D+00  0.165230D+01  0.232241D+01  0.200488D+00
      2   0.278671D+01  0.547851D+00  0.232241D+01  0.551708D+01  0.145682D+01
      3   0.547851D+00  0.769566D+00  0.200488D+00  0.145682D+01  0.146498D+01
               151           152           153           154           155 
      1  -0.271237D+00 -0.313667D-01  0.266618D+00  0.187606D+01 -0.854984D+00
      2  -0.313667D-01  0.123755D+00  0.635034D+00 -0.854984D+00  0.150721D+01
      3   0.266618D+00  0.635034D+00  0.257243D+00  0.130848D+01 -0.705026D+00
               156           157           158           159           160 
      1   0.130848D+01 -0.127191D+01  0.138358D+01 -0.890455D+00  0.887018D+00
      2  -0.705026D+00  0.138358D+01 -0.237110D+01  0.129471D+01 -0.703476D+00
      3   0.150583D+01 -0.890455D+00  0.129471D+01 -0.262482D+01  0.784817D+00
               161           162           163           164           165 
      1  -0.703476D+00  0.784817D+00 -0.561430D+01  0.164001D+01  0.379339D+01
      2   0.112106D+01 -0.126873D+01  0.164001D+01 -0.121315D+01 -0.151018D+01
      3  -0.126873D+01  0.254562D+01  0.379339D+01 -0.151018D+01 -0.434567D+01
               166           167           168           169           170 
      1   0.657038D+00 -0.741434D+00 -0.838409D+00  0.221824D+01 -0.104875D+01
      2  -0.741434D+00  0.122837D+01  0.132840D+01 -0.104875D+01  0.102300D+01
      3  -0.838409D+00  0.132840D+01  0.830069D+00 -0.319497D+01  0.125721D+01
               171           172           173           174           175 
      1  -0.319497D+01 -0.245711D+01  0.301574D+00 -0.169390D+01 -0.920247D+00
      2   0.125721D+01  0.301574D+00 -0.667484D-01 -0.185456D+00  0.766283D-01
      3   0.450958D+01 -0.169390D+01 -0.185456D+00 -0.218462D+01 -0.811220D+00
               176           177           178           179           180 
      1   0.766283D-01 -0.811220D+00 -0.239152D+01  0.184895D+00 -0.330022D+01
      2  -0.413764D+00 -0.767869D+00  0.184895D+00 -0.137582D+01  0.185590D+00
      3  -0.767869D+00 -0.141810D+01 -0.330022D+01  0.185590D+00 -0.703216D+01
               181           182           183           184           185 
      1   0.119192D+01  0.134513D+01  0.537812D-01  0.155455D+01  0.889092D+00
      2   0.134513D+01  0.374940D+01 -0.863714D+00  0.889092D+00  0.787247D+01
      3   0.537812D-01 -0.863714D+00  0.632546D+00 -0.273159D+00 -0.118155D+01
               186           187           188           189           190 
      1  -0.273159D+00  0.469132D+00 -0.507832D+00 -0.114992D+00 -0.817777D+01
      2  -0.118155D+01 -0.507832D+00 -0.590326D+00  0.107208D+01  0.351290D+01
      3   0.101247D+01 -0.114992D+00  0.107208D+01 -0.857482D+00  0.201240D+01
               191           192           193           194           195 
      1   0.351290D+01  0.201240D+01  0.166500D+01 -0.185279D+01 -0.830246D+00
      2  -0.201528D+01 -0.882262D+00 -0.185279D+01  0.213640D+01  0.654659D+00
      3  -0.882262D+00 -0.183859D+01 -0.830246D+00  0.654659D+00  0.315653D+00
               196           197           198           199           200 
      1   0.506552D+01 -0.225555D+01 -0.231750D+01 -0.377080D+00  0.146378D+01
      2  -0.225555D+01  0.201991D+01  0.862266D+00  0.146378D+01  0.866673D+00
      3  -0.231750D+01  0.862266D+00  0.155621D+01 -0.690679D+00 -0.129248D+00
               201           202           203           204           205 
      1  -0.690679D+00  0.186812D+01  0.101643D+01  0.670401D-01 -0.198660D+01
      2  -0.129248D+00  0.101643D+01  0.585741D+01 -0.176648D+01  0.464963D+00
      3  -0.889105D-01  0.670401D-01 -0.176648D+01  0.125371D+01  0.865132D+00
               206           207           208           209           210 
      1   0.464963D+00  0.865132D+00  0.220424D+00 -0.110586D+01  0.351475D+00
      2  -0.143451D+01  0.893082D+00 -0.110586D+01 -0.955878D-01 -0.519424D-01
      3   0.893082D+00 -0.472894D+00  0.351475D+00 -0.519424D-01  0.152031D+00
               211           212           213           214           215 
      1  -0.225556D+01 -0.330203D+00 -0.717678D-01  0.636038D+00 -0.971434D-01
      2  -0.330203D+00 -0.682578D+01  0.112621D+01 -0.971434D-01  0.152331D+01
      3  -0.717678D-01  0.112621D+01 -0.103123D+01 -0.268530D+00 -0.840120D+00
               216           217           218           219           220 
      1  -0.268530D+00  0.131199D+01  0.285791D+00 -0.518100D+00  0.136191D+01
      2  -0.840120D+00  0.285791D+00 -0.968611D+00  0.203554D+00  0.187554D+00
      3   0.384635D+00 -0.518100D+00  0.203554D+00 -0.644429D+00 -0.269344D-02
               221           222           223           224           225 
      1   0.187554D+00 -0.269344D-02 -0.207820D+01 -0.103672D+01  0.746224D+00
      2   0.151653D+01 -0.113558D+01 -0.103672D+01 -0.242317D+01  0.248398D+01
      3  -0.113558D+01  0.138304D+01  0.746224D+00  0.248398D+01 -0.683186D+01
               226           227           228           229           230 
      1   0.102447D+02  0.291386D+01  0.789154D+00  0.136773D+01  0.110349D+01
      2   0.291386D+01  0.179412D+01  0.208189D+00  0.110349D+01  0.771504D+00
      3   0.789154D+00  0.208189D+00  0.117683D+01  0.153247D+00  0.318803D+00
               231           232           233           234           235 
      1   0.153247D+00  0.162193D+01  0.516488D+00  0.120215D+01 -0.514149D+00
      2   0.318803D+00  0.516488D+00  0.598720D+00  0.672211D+00  0.738912D+00
      3   0.332308D+00  0.120215D+01  0.672211D+00  0.185396D+00  0.107752D+01
               236           237           238           239           240 
      1   0.738912D+00  0.107752D+01  0.250330D+01 -0.463372D+00 -0.402304D+00
      2  -0.275023D+01 -0.641201D+00 -0.463372D+00  0.456851D+01  0.156405D+01
      3  -0.641201D+00 -0.118727D+01 -0.402304D+00  0.156405D+01  0.163232D+01
               241           242           243 
      1   0.157675D+01 -0.136922D+00 -0.480639D+00
      2  -0.136922D+00  0.254897D+01  0.202569D+01
      3  -0.480639D+00  0.202569D+01  0.159566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.120513D+01 -0.112579D+02  0.181896D+01 -0.115662D+02 -0.288811D+01
      2   0.827211D+01  0.945645D+00  0.521666D+01 -0.891913D+00  0.124592D+02
      3  -0.233769D+01 -0.110786D+02 -0.988690D+00 -0.658360D+01 -0.797389D+01
                 6             7             8             9            10 
      1  -0.870374D+01  0.223125D+01 -0.216525D+01  0.316916D+01 -0.103985D+02
      2  -0.727230D+01 -0.236527D+01 -0.575166D+01 -0.717356D+01 -0.307404D+02
      3  -0.449545D+00  0.188201D+01 -0.762698D-01  0.424939D+01  0.407795D+01
                11            12            13            14            15 
      1   0.600466D+01  0.258475D+01  0.548638D+01 -0.741689D+00 -0.377298D+01
      2   0.796066D+01  0.123271D+02  0.194618D+02 -0.721923D+01  0.198658D+01
      3   0.631593D+01 -0.185711D+01  0.114559D+02  0.150018D+02  0.179255D+01
                16            17            18            19            20 
      1   0.565936D+01  0.574706D+01  0.887598D+00  0.127222D+02 -0.426493D+01
      2   0.181654D+02  0.951691D+00  0.341338D+01  0.307189D+02 -0.584543D+01
      3  -0.353479D+01  0.687576D+00 -0.378137D+01 -0.511408D+01 -0.467145D+01
                21            22            23            24            25 
      1  -0.309371D+01 -0.630052D+01 -0.537427D+01 -0.629132D+00 -0.899758D+01
      2   0.123951D+01 -0.164364D+02  0.518752D+01  0.441467D+01 -0.210425D+02
      3  -0.927319D+00  0.908200D+01 -0.166610D+01 -0.808357D+00 -0.276903D+01
                26            27            28            29            30 
      1   0.456285D+01  0.283337D+01 -0.119226D+02  0.185114D+01  0.172068D+01
      2   0.390646D+01  0.289929D+01 -0.325070D+02  0.237513D+01 -0.729060D+01
      3  -0.986781D+00 -0.177876D+01  0.741364D+01  0.273750D+01  0.247862D+01
                31            32            33            34            35 
      1   0.339944D+01  0.299691D+01 -0.229559D+01  0.553017D+01  0.295451D+01
      2   0.940101D+01 -0.306540D+01  0.157936D+01 -0.449068D+02  0.333057D+01
      3   0.187411D+02 -0.136726D+01  0.100020D+01  0.841443D+01  0.138566D+01
                36            37            38            39            40 
      1  -0.831805D+00  0.930142D+01 -0.171167D+01 -0.328738D+01 -0.861932D+01
      2  -0.994551D+01  0.391451D+02 -0.353575D+01  0.125634D+02 -0.680123D+01
      3   0.881127D+00  0.145717D+01 -0.665667D+01 -0.197464D+01  0.102270D+02
                41            42            43            44            45 
      1   0.478538D+00 -0.204588D+01 -0.685417D+01  0.101138D+01 -0.112128D+01
      2  -0.111920D+01  0.699808D+00  0.143614D+02 -0.556560D+00  0.701540D+01
      3  -0.126172D+02  0.492115D+01 -0.593649D+01  0.303055D+01 -0.443028D-01
                46            47            48            49            50 
      1  -0.833034D+01 -0.119989D+01  0.933894D+01 -0.125863D+01  0.671143D+01
      2  -0.238672D+02  0.383752D+01 -0.190750D+02  0.369615D+01 -0.852313D+00
      3  -0.887471D+01  0.101361D+02  0.298850D+01  0.179247D+02  0.525554D+01
                51            52            53            54            55 
      1   0.391285D+01  0.235329D+01  0.151937D+02 -0.311914D+01  0.495446D+01
      2   0.416954D+01 -0.275010D+02 -0.117329D+01 -0.846485D+01  0.196052D+02
      3   0.173413D+01  0.113999D+01  0.494549D+01 -0.130134D+01  0.334129D+01
                56            57            58            59            60 
      1   0.145936D+01 -0.204359D+01 -0.195814D+01 -0.237091D+01 -0.456860D+01
      2  -0.371828D+01  0.190181D+02 -0.134757D+02  0.572137D+01 -0.123965D+02
      3  -0.181600D+02 -0.163299D+00 -0.665220D+01  0.177923D+02 -0.306540D+01
                61            62            63            64            65 
      1   0.339601D+01 -0.649420D+00  0.202695D+01  0.646396D+01 -0.409865D+01
      2   0.159059D+02 -0.553335D+01  0.142528D+02  0.104989D+02 -0.108249D+02
      3  -0.230134D+00 -0.713978D+01  0.477763D+01  0.633119D+00 -0.195624D+02
                66            67            68            69            70 
      1  -0.788166D+01 -0.386840D+01  0.380239D+01 -0.413885D+01 -0.119801D+02
      2  -0.889506D+01 -0.976794D+01  0.305032D+00 -0.319728D+01 -0.176706D+02
      3   0.565756D+01 -0.712080D+01 -0.200008D+02  0.399957D+01  0.405378D+01
                71            72            73            74            75 
      1   0.238897D+01 -0.952176D+01  0.356870D+01 -0.373915D+01  0.394935D+01
      2   0.741502D+00 -0.121161D+02 -0.106184D+01  0.179590D+01 -0.942124D+01
      3   0.402296D+01  0.913346D+01  0.678289D+01 -0.171173D+02 -0.760234D+01
                76            77            78            79            80 
      1  -0.155964D+01 -0.318283D+01  0.432114D-01  0.770939D+01  0.581987D+01
      2   0.516250D+01  0.229813D+01 -0.531395D+01 -0.239137D+02 -0.838177D+01
      3  -0.743584D+01 -0.150638D+02  0.845487D-01 -0.774027D+01  0.118450D+01
                81            82            83            84            85 
      1  -0.155295D+01 -0.346960D+01  0.679014D+01 -0.262949D+01  0.971744D+01
      2   0.524773D+01  0.474075D+01 -0.308486D+01  0.248341D+01 -0.616971D+01
      3   0.161073D+01 -0.990608D+01  0.465816D+00  0.849554D+01  0.901065D+01
                86            87            88            89            90 
      1   0.965762D+01  0.149921D+01 -0.124593D+01  0.938994D+01 -0.139832D+01
      2  -0.399462D+01 -0.138529D+01 -0.178300D+01 -0.516540D+00  0.332643D+00
      3   0.628958D+01 -0.113124D+01  0.114051D+02 -0.836438D+00  0.688463D+01
                91            92            93            94            95 
      1   0.292086D+01 -0.283125D+01 -0.583361D+01  0.404694D+00  0.274653D+01
      2  -0.992610D+01 -0.177652D+00  0.867652D+01  0.565021D+00 -0.341100D+01
      3  -0.165706D+01 -0.206538D+02 -0.362761D+01 -0.850848D+01  0.177659D+01
                96            97            98            99           100 
      1  -0.396635D+00  0.496772D+01  0.117157D+02 -0.722077D+01 -0.348607D+01
      2  -0.500033D+01 -0.370664D+01 -0.110968D+02  0.140010D+02  0.841171D+01
      3   0.491269D+01 -0.267930D+01  0.643593D+01  0.131498D+02  0.387209D+01
               101           102           103           104           105 
      1   0.416622D+00 -0.338563D+01 -0.191557D+00 -0.523462D+00 -0.132196D+01
      2   0.113278D+01  0.932874D+01  0.105503D+01  0.143907D+01  0.135921D+01
      3  -0.386390D+01  0.209724D+01 -0.262078D+00  0.857301D+00 -0.156653D+01
               106           107           108           109           110 
      1  -0.373147D+01  0.493595D+00 -0.397717D+01  0.209566D+01  0.140396D+00
      2   0.714903D+01  0.276999D+01  0.945823D+01 -0.322374D+01 -0.240245D+01
      3   0.360624D+01 -0.492271D+01  0.718573D+00  0.408415D+00 -0.213406D+01
               111           112           113           114           115 
      1  -0.289492D+01  0.160972D+01  0.976919D+00 -0.246203D+01 -0.444477D+01
      2   0.751553D+01 -0.165697D+01 -0.444727D+01  0.448171D+01  0.104036D+02
      3   0.382792D+00 -0.693721D+00 -0.272363D+01  0.267818D+01  0.664999D+00
               116           117           118           119           120 
      1   0.887331D+00  0.730168D+01 -0.111554D+01  0.140066D+01 -0.300099D+00
      2   0.625836D+01 -0.171968D+02 -0.449333D+01  0.125875D+01  0.102007D+01
      3   0.664697D+01 -0.166695D+01  0.128500D+01 -0.178555D+01  0.695827D+00
               121           122           123           124           125 
      1   0.277454D+01  0.116689D+00  0.618908D+00  0.224011D+01  0.403753D+01
      2   0.557625D+01 -0.804880D+00 -0.810401D+00 -0.286294D+01 -0.878462D+00
      3   0.123968D+01 -0.121635D+00 -0.591621D+00  0.118994D+01 -0.157876D+01
               126           127           128           129           130 
      1  -0.262169D+01  0.262477D+01 -0.199023D+01  0.396522D+01 -0.157517D+01
      2   0.449763D+01 -0.245800D+01  0.877085D+00 -0.464760D+00  0.119762D+01
      3   0.132204D+01 -0.808928D+01  0.149011D+01 -0.452388D+01  0.356775D+01
               131           132           133           134           135 
      1   0.203233D+01 -0.390594D+01  0.273513D+01 -0.244337D+01  0.872327D+01
      2  -0.115196D+01  0.108917D+01 -0.327990D+01  0.204603D+01 -0.287145D+01
      3  -0.550714D+01  0.287039D+01 -0.750348D+01  0.444161D+01 -0.619306D+01
               136           137           138           139           140 
      1  -0.377905D+00 -0.665839D+00  0.281574D+00  0.309015D+00 -0.363200D+01
      2  -0.181131D+00 -0.572471D-01  0.515420D+00 -0.521612D+00  0.320405D+01
      3  -0.129662D+01  0.719161D+00  0.333222D+00  0.407359D+01 -0.104976D+02
               141           142           143           144           145 
      1  -0.644887D+01  0.348604D+00 -0.405451D+01 -0.692240D+01  0.399822D+01
      2   0.245334D+01 -0.213363D+01  0.353106D+01  0.363075D+01 -0.779238D+01
      3  -0.461918D+01  0.215395D+01 -0.604166D+01 -0.573550D+01  0.845448D+01
               146           147           148           149           150 
      1   0.574311D+01 -0.126024D+01  0.501109D+01  0.913366D+01 -0.163283D+01
      2  -0.527707D+01 -0.120026D+01 -0.611146D+01 -0.842466D+01 -0.176528D+01
      3   0.565797D+01  0.125822D+01  0.891925D+01  0.108219D+02  0.279934D+01
               151           152           153           154           155 
      1  -0.996513D+00  0.848120D+00  0.131138D+01 -0.402431D+01  0.555677D+01
      2  -0.147270D+01 -0.895218D+00 -0.889570D+00 -0.876877D+01  0.387118D+01
      3  -0.114542D+01 -0.116531D+00  0.153896D+01 -0.520533D+00  0.435797D+00
               156           157           158           159           160 
      1  -0.212567D+01  0.479765D+01 -0.835028D+01  0.259758D+01 -0.212173D+01
      2  -0.357791D+01  0.604702D+01 -0.595515D+01  0.558594D+01 -0.483130D+01
      3   0.717624D-01  0.276096D+01 -0.127559D+01  0.103411D+01 -0.490767D+00
               161           162           163           164           165 
      1   0.467904D+01 -0.405365D+01 -0.963264D+00 -0.185115D+01  0.217972D+01
      2   0.374860D+01 -0.537523D+01  0.321843D+01  0.350374D+00  0.387824D+01
      3   0.244424D+00 -0.122816D+01 -0.197122D+01 -0.263188D+01  0.294635D+00
               166           167           168           169           170 
      1  -0.350771D+00  0.108441D+01  0.235388D+00  0.107664D+01  0.256198D+01
      2  -0.120124D+01 -0.161448D+01  0.230807D-01 -0.335723D+01 -0.170460D-01
      3   0.379748D+00  0.201496D+01  0.145201D+01  0.182146D+01  0.167993D+01
               171           172           173           174           175 
      1  -0.272664D+01  0.277169D+01  0.112288D+01  0.427838D+01  0.843048D+00
      2  -0.315094D+01  0.313496D+01  0.578785D+00  0.669845D+01  0.102683D+01
      3  -0.785963D+00 -0.259492D+01 -0.749235D+00 -0.335584D+01  0.127158D+00
               176           177           178           179           180 
      1   0.243926D+01  0.200004D+01  0.523272D+01  0.407264D+01  0.120536D+02
      2   0.237974D+01  0.403656D+01  0.542740D+01  0.961161D-01  0.196109D+02
      3  -0.166238D+01 -0.331256D+01 -0.345044D+01 -0.532478D+01 -0.483016D+01
               181           182           183           184           185 
      1  -0.109545D+01 -0.490926D+00 -0.182190D+01 -0.425441D+00 -0.252710D+01
      2   0.119898D+01  0.315997D+01 -0.566275D+00  0.217026D+01  0.422768D+01
      3   0.933800D+01  0.135090D+02 -0.245075D+01  0.898968D+01  0.268181D+02
               186           187           188           189           190 
      1  -0.371783D+01  0.230171D+00 -0.119468D+00  0.125869D+01 -0.574757D+01
      2  -0.246487D+01 -0.515284D+00 -0.312283D+01  0.213850D+01 -0.985030D+01
      3  -0.437293D+01 -0.162271D+01 -0.317188D+01  0.312326D+01 -0.378984D+01
               191           192           193           194           195 
      1   0.237467D+01  0.489507D+01  0.253139D+01 -0.210018D+01 -0.204255D+01
      2   0.470221D+01  0.967312D+01  0.388141D+01 -0.323761D+01 -0.212320D+01
      3  -0.308252D+01  0.746853D+00 -0.459808D+00  0.435039D+01  0.456227D+00
               196           197           198           199           200 
      1   0.499833D+01 -0.939091D+00 -0.371332D+01  0.482020D+00 -0.120683D+01
      2   0.840638D+01 -0.340007D+01 -0.729036D+01 -0.606370D+00  0.135023D+01
      3   0.598470D+00  0.370479D+01 -0.122067D+01  0.804699D-01 -0.561085D-01
               201           202           203           204           205 
      1  -0.574079D+00 -0.228502D+01 -0.548652D+01 -0.170460D+01 -0.594952D+01
      2  -0.421195D+00  0.232276D+01  0.100051D+01  0.671489D+00 -0.266638D+01
      3   0.518762D-01  0.318780D+01 -0.269199D+01  0.186606D+00 -0.148803D+01
               206           207           208           209           210 
      1   0.202389D+01 -0.923307D+00  0.834908D+00  0.133627D-01 -0.223324D+00
      2   0.151079D+00  0.658268D+00  0.231105D+01 -0.302938D+00  0.419205D+00
      3   0.553632D+00 -0.901717D+00  0.389534D+01  0.633061D+00 -0.142231D+00
               211           212           213           214           215 
      1  -0.281394D+00  0.781325D+00 -0.350487D+01 -0.184665D+01  0.240887D+00
      2  -0.364563D+00  0.329473D+01 -0.215369D+01 -0.394799D+01 -0.203521D+01
      3   0.581296D+01  0.141801D+02 -0.256195D+01 -0.223158D+01 -0.306689D+01
               216           217           218           219           220 
      1   0.477090D+00 -0.341666D+00 -0.566219D+00  0.156238D+01 -0.131097D+01
      2   0.634816D+00 -0.127486D+01  0.971938D+00 -0.206590D+01  0.191711D+01
      3   0.180951D+01 -0.632645D+00  0.311810D+01 -0.196591D+01  0.599421D+00
               221           222           223           224           225 
      1   0.138314D+01 -0.283912D+01 -0.232072D+01 -0.360854D+01  0.125623D+02
      2  -0.364196D+01  0.460545D+01  0.104878D+01  0.892957D+01 -0.236702D+02
      3  -0.556212D+01  0.375840D+01  0.490922D-01  0.677988D+01 -0.914365D+01
               226           227           228           229           230 
      1  -0.225521D+01 -0.540025D+00 -0.220806D+01 -0.638846D+00 -0.631910D+00
      2   0.567291D+01  0.159787D+01  0.659823D+01  0.118955D+01  0.143650D+01
      3   0.427991D+01 -0.496256D+01  0.660284D+00  0.581198D+00 -0.104762D+01
               231           232           233           234           235 
      1  -0.142861D+01 -0.116889D+01 -0.807111D-01 -0.339649D+00 -0.416013D+00
      2   0.159769D+01  0.328924D+01  0.210281D+01  0.116168D+01  0.335688D+01
      3  -0.947029D+00  0.488340D+00 -0.194526D+01 -0.124320D+01 -0.559071D+01
               236           237           238           239           240 
      1   0.354090D+01  0.298832D+01  0.177117D+01 -0.493630D+01 -0.435619D+01
      2  -0.313509D+01 -0.318399D+01 -0.127155D+01  0.598621D+01  0.512946D+01
      3   0.118259D+02  0.496190D+01  0.624146D+01 -0.183243D+02 -0.671941D+01
               241           242           243 
      1   0.480601D-02 -0.444703D+01 -0.415650D+01
      2  -0.140586D+01  0.773948D+01  0.565722D+01
      3   0.335462D+01 -0.105361D+02 -0.934433D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.737491D+01  0.710786D+01  0.854188D+01  0.427395D+01  0.198017D+02
      2   0.507060D+01 -0.195327D+02 -0.118873D+02 -0.157027D+02 -0.109475D+02
      3  -0.124455D+02  0.124248D+02  0.334537D+01  0.114288D+02 -0.885430D+01
      4   0.812853D+01  0.660900D+01 -0.129864D+02  0.848059D+01 -0.264751D+01
      5   0.217157D+02 -0.130092D+02 -0.255528D+02 -0.131415D+02 -0.233271D+01
      6  -0.894309D+01 -0.711292D+01  0.118633D+02 -0.745102D+01 -0.656266D+01
                 6             7             8             9            10 
      1  -0.931259D+01  0.449275D+01 -0.117307D+02 -0.181014D+02 -0.819386D+01
      2  -0.463486D+00 -0.889338D+01  0.150384D+01  0.946143D+01  0.269485D+01
      3   0.977608D+01  0.440063D+01  0.102269D+02  0.863994D+01  0.549901D+01
      4   0.821608D+01 -0.152756D+02  0.763179D+01  0.368880D+01 -0.166294D+02
      5   0.103084D+01 -0.250056D+02  0.572024D+01  0.794122D+01 -0.114389D+02
      6  -0.396157D+01  0.114866D+02 -0.309014D+01  0.590198D+01  0.948708D+01
                11            12            13            14            15 
      1  -0.100253D+02 -0.101039D+01  0.537838D+00 -0.274172D+02  0.853999D+01
      2   0.129030D+02  0.816229D+00  0.177761D+01  0.135259D+02 -0.147466D+01
      3  -0.287767D+01  0.194164D+00 -0.231545D+01  0.138913D+02 -0.706533D+01
      4  -0.120860D+02  0.117490D+02 -0.181897D+02 -0.184978D+02 -0.699473D+01
      5   0.111907D+02  0.153029D+02  0.137793D+02 -0.232784D+01  0.563952D+01
      6  -0.768987D+01 -0.265704D+01 -0.267696D+01  0.109542D+02 -0.530295D+00
                16            17            18            19            20 
      1   0.936249D+00  0.144743D+02  0.147990D+02  0.451869D+02  0.905559D+01
      2  -0.789356D+01 -0.440379D+01 -0.112876D+02 -0.204925D+02 -0.101773D+02
      3   0.695731D+01 -0.100705D+02 -0.351140D+01 -0.246944D+02  0.112170D+01
      4   0.182412D+02 -0.147107D+02  0.134388D+01  0.127769D+02 -0.733178D+01
      5   0.240123D+02  0.112793D+01  0.970988D+01 -0.658853D+01 -0.248654D+01
      6  -0.414129D+01 -0.449697D+00 -0.814153D+01 -0.101548D+02 -0.953057D+00
                21            22            23            24            25 
      1   0.526521D+01 -0.453304D+00  0.253624D+01 -0.333185D+01  0.208902D+02
      2   0.194522D+01 -0.184909D+01 -0.586036D+01  0.746850D+00  0.846360D+01
      3  -0.721043D+01  0.230240D+01  0.332412D+01  0.258500D+01 -0.293538D+02
      4  -0.467727D+01 -0.513755D+01 -0.158174D+01  0.435603D+01 -0.130560D+02
      5  -0.695468D+01 -0.641589D+01  0.117083D+01  0.478745D+01 -0.182136D+02
      6   0.342017D+00 -0.994194D+00 -0.419450D+01  0.258853D+01 -0.148030D+01
                26            27            28            29            30 
      1  -0.838328D+01  0.122637D+02 -0.120151D+03  0.871219D+01 -0.121724D+02
      2   0.441477D+01  0.136370D+02  0.503771D+02 -0.527801D+01  0.465702D+01
      3   0.396851D+01 -0.259008D+02  0.697737D+02 -0.343418D+01  0.751534D+01
      4   0.102698D+02  0.186573D+01  0.145341D+02 -0.927517D+01  0.114730D+01
      5   0.498135D+01 -0.157782D+02 -0.115669D+01 -0.745465D+00 -0.852673D+01
      6   0.372419D+01  0.114579D+01  0.974732D+01  0.251720D+01  0.106776D+01
                31            32            33            34            35 
      1   0.470468D+02 -0.653402D+01  0.142459D+01 -0.422487D+02 -0.167440D+01
      2  -0.229688D+02  0.221249D+01  0.394804D+00  0.128556D+02  0.340180D+01
      3  -0.240780D+02  0.432153D+01 -0.181939D+01  0.293930D+02 -0.172739D+01
      4  -0.150034D+02 -0.331677D+01  0.789125D+00  0.652193D+01 -0.343842D+01
      5   0.713685D+01  0.192908D+01  0.148215D+01 -0.799604D+01  0.210723D+00
      6   0.980159D+00  0.884959D+01 -0.763179D+00  0.100784D+01  0.285462D+01
                36            37            38            39            40 
      1  -0.297692D+02  0.161057D+03 -0.236688D+02  0.276831D+02 -0.239502D+02
      2   0.443898D-01 -0.704374D+02  0.110184D+02 -0.984818D+01  0.789148D+01
      3   0.297248D+02 -0.906197D+02  0.126504D+02 -0.178350D+02  0.160587D+02
      4   0.427010D+01 -0.445028D+02  0.141416D+02 -0.545009D+01  0.161598D+02
      5  -0.123805D+02  0.211185D+02 -0.189990D+01  0.178375D+02  0.244809D+01
      6   0.313284D+01 -0.102107D+02 -0.133918D+01 -0.191054D+01 -0.756134D+00
                41            42            43            44            45 
      1   0.130772D+02 -0.765367D+01  0.404383D+02 -0.869642D+01  0.792046D+01
      2  -0.117765D+02  0.320739D+01 -0.184506D+02  0.727215D+01 -0.690787D+01
      3  -0.130064D+01  0.444627D+01 -0.219877D+02  0.142427D+01 -0.101258D+01
      4   0.138737D+02 -0.484610D+01 -0.575785D+01 -0.622301D+01 -0.575935D+01
      5  -0.650908D+01 -0.169102D+01  0.277710D+02 -0.593199D+01  0.583244D+01
      6   0.386489D+01  0.353447D+01 -0.842886D+01  0.636241D+01  0.881354D+00
                46            47            48            49            50 
      1  -0.147096D+03  0.367863D+02 -0.246856D+02  0.629776D+02 -0.238812D+02
      2   0.670408D+02 -0.168888D+02  0.136221D+02 -0.372845D+02  0.516528D+01
      3   0.800552D+02 -0.198975D+02  0.110635D+02 -0.256931D+02  0.187159D+02
      4   0.675543D+02 -0.352200D+02  0.156090D+02 -0.369615D+02 -0.130496D+02
      5  -0.388214D+02  0.116249D+02 -0.244761D+02  0.234554D+02 -0.719090D+00
      6   0.159031D+02 -0.565603D+01  0.227829D+01 -0.323316D+00  0.391576D+01
                51            52            53            54            55 
      1   0.149149D+02 -0.532825D+02  0.130001D+02 -0.143565D+02  0.169228D+03
      2  -0.119360D+02  0.254637D+02 -0.365434D+01  0.267071D+01 -0.824463D+02
      3  -0.297887D+01  0.278188D+02 -0.934580D+01  0.116858D+02 -0.867819D+02
      4  -0.627433D+00  0.284701D+02 -0.324567D+01  0.716790D+01 -0.673734D+02
      5   0.507563D+01 -0.698209D+01  0.510764D+01 -0.117616D+02  0.349174D+02
      6  -0.627888D+01  0.928332D+00  0.188134D+01  0.454639D+01 -0.874732D+01
                56            57            58            59            60 
      1  -0.395742D+02  0.257423D+02 -0.102373D+03  0.299982D+02 -0.142642D+02
      2   0.146918D+02 -0.156805D+02  0.421205D+02 -0.309743D+01  0.824781D+01
      3   0.248824D+02 -0.100618D+02  0.602528D+02 -0.269008D+02  0.601636D+01
      4   0.423255D+02 -0.117873D+02  0.700703D+02 -0.486490D+02  0.144414D+02
      5  -0.973073D+01  0.303101D+02 -0.236970D+02  0.117709D+02 -0.174530D+02
      6   0.387785D+01 -0.604267D+01  0.981601D+01 -0.576231D+01  0.116453D+02
                61            62            63            64            65 
      1   0.499553D+02 -0.623845D+01  0.255055D+02 -0.258923D+02  0.294364D+02
      2  -0.284748D+02  0.447214D+01 -0.193597D+02  0.763748D+01 -0.262977D+02
      3  -0.214805D+02  0.176631D+01 -0.614585D+01  0.182548D+02 -0.313870D+01
      4  -0.192010D+02  0.110613D+02 -0.210903D+02  0.253084D+02  0.616920D+01
      5   0.485385D+02 -0.196768D+02  0.304347D+02  0.143883D+02 -0.155866D+02
      6  -0.997022D+01  0.110754D+02 -0.819397D+01 -0.102943D+02  0.147076D+02
                66            67            68            69            70 
      1   0.980800D+01  0.203961D+02  0.289347D+02 -0.179833D+02  0.173797D+02
      2   0.577719D+01 -0.164231D+02 -0.262557D+02  0.113339D+02  0.524453D+01
      3  -0.155852D+02 -0.397295D+01 -0.267896D+01  0.664940D+01 -0.226242D+02
      4  -0.201424D+02  0.695895D+01  0.363249D+01  0.979346D+01 -0.266936D+02
      5  -0.181246D+02 -0.174261D+02  0.758111D+01 -0.108757D+02 -0.246349D+02
      6   0.630094D+01  0.119764D+02  0.175563D+00  0.336873D+01  0.887998D+01
                71            72            73            74            75 
      1  -0.210017D+02 -0.226869D+02 -0.178868D+01 -0.135731D+02 -0.208664D+02
      2   0.108274D+02  0.237676D+02  0.452953D+00  0.100308D+02  0.127186D+02
      3   0.101743D+02 -0.108070D+01  0.133573D+01  0.354233D+01  0.814777D+01
      4   0.143511D+02  0.285453D+01 -0.135601D+02  0.531897D+01 -0.120238D+01
      5  -0.422196D+01 -0.292849D+02 -0.965412D+01  0.320794D+01 -0.220487D+02
      6   0.332423D+01  0.714821D+01 -0.333594D+01  0.713057D+01 -0.684712D+01
                76            77            78            79            80 
      1  -0.155762D+02  0.173259D+02  0.670451D+01 -0.230385D+02  0.248868D+01
      2   0.162433D+02 -0.261819D+01 -0.505396D+01  0.137645D+02 -0.179085D+01
      3  -0.667099D+00 -0.147077D+02 -0.165055D+01  0.927399D+01 -0.697834D+00
      4   0.131246D+02  0.346381D+02  0.434275D+01  0.581098D+01  0.949500D+01
      5   0.102888D+02 -0.173330D+01 -0.114855D+02 -0.367681D+02 -0.155232D+02
      6   0.299833D+01 -0.642863D+00 -0.427718D+01 -0.132963D+02 -0.577695D+01
                81            82            83            84            85 
      1  -0.232667D+02 -0.179374D+02 -0.134581D+01  0.144354D+02  0.148799D+01
      2   0.156028D+02  0.159543D+02  0.701819D+01 -0.140189D+02  0.223713D+01
      3   0.766392D+01  0.198308D+01 -0.567238D+01 -0.416472D+00 -0.372511D+01
      4  -0.205748D+02  0.679582D+00  0.103375D+02  0.254128D+01  0.978699D+01
      5   0.993111D+01  0.668532D+01 -0.285679D+01  0.168350D+01 -0.614767D+01
      6   0.830803D+01  0.924382D+01 -0.639038D+01  0.331071D+01 -0.421881D+01
                86            87            88            89            90 
      1   0.113924D+02  0.505105D+01  0.172417D+02  0.108233D+02  0.147090D+02
      2  -0.650058D+01 -0.889607D+01 -0.164731D+02 -0.172712D+02 -0.168469D+02
      3  -0.489177D+01  0.384502D+01 -0.768581D+00  0.644789D+01  0.213790D+01
      4  -0.456478D+01 -0.127932D+02  0.160329D+01 -0.182383D+02 -0.285494D+01
      5  -0.658509D+01 -0.348371D+01  0.364575D+01 -0.521237D+01 -0.207171D+00
      6  -0.176922D+02 -0.142226D+02  0.337688D+01 -0.194899D+02 -0.279051D+01
                91            92            93            94            95 
      1  -0.608417D+02 -0.294798D+02 -0.146697D+02 -0.120830D+02  0.194293D+02
      2   0.264211D+02  0.230833D+02  0.112515D+02  0.133509D+02 -0.419601D+01
      3   0.344206D+02  0.639658D+01  0.341821D+01 -0.126790D+01 -0.152333D+02
      4  -0.255770D+02  0.167790D+02 -0.542761D+01  0.203041D+02  0.159712D+02
      5  -0.128669D+02 -0.256594D+01  0.122716D+02 -0.210775D+01 -0.783891D+01
      6  -0.605476D+01  0.208478D+01  0.760531D+01 -0.236708D+00 -0.883132D+01
                96            97            98            99           100 
      1   0.288079D+01 -0.218844D+02  0.396052D+00  0.203510D+02  0.515208D+02
      2  -0.754772D+01  0.116461D+02 -0.103197D+02 -0.839321D+01 -0.267807D+02
      3   0.466693D+01  0.102383D+02  0.992369D+01 -0.119577D+02 -0.247402D+02
      4  -0.632440D+01 -0.642459D+01 -0.565316D+01 -0.134842D+02  0.232463D+02
      5  -0.921775D+01  0.362855D+01 -0.159709D+02  0.253227D+02  0.232344D+02
      6  -0.380531D+01  0.205127D+01 -0.113297D+02  0.132670D+02  0.545615D+01
               101           102           103           104           105 
      1   0.955160D+01  0.193556D+02  0.297793D+01  0.442330D+01 -0.578886D+00
      2  -0.297113D+01 -0.106791D+02  0.225041D+00 -0.117815D+01  0.170001D+01
      3  -0.658048D+01 -0.867645D+01 -0.320297D+01 -0.324516D+01 -0.112112D+01
      4   0.129458D+02  0.772393D+01  0.104850D+02  0.408532D+01  0.531065D+01
      5   0.365396D+01  0.186060D+02  0.152325D+01  0.540808D+01  0.300003D+01
      6   0.169984D+01  0.521415D+01  0.240459D+01  0.251337D+01  0.375684D+01
               106           107           108           109           110 
      1   0.307901D+02  0.308771D+01  0.172257D+02  0.228821D+02  0.844192D+01
      2  -0.176907D+02  0.513284D+00 -0.128379D+02 -0.131451D+02 -0.400370D+01
      3  -0.130994D+02 -0.360099D+01 -0.438775D+01 -0.973694D+01 -0.443822D+01
      4   0.140930D+02  0.105242D+02  0.117805D+02  0.177651D+02  0.104001D+02
      5   0.259739D+02  0.742360D+01  0.208955D+02 -0.171722D+02 -0.716623D+01
      6   0.747970D+01  0.468282D+01  0.623757D+01 -0.754955D+01 -0.426532D+01
               111           112           113           114           115 
      1  -0.824027D+01  0.672870D+01 -0.916744D+00 -0.998955D+00 -0.160403D+02
      2   0.568018D+01 -0.215051D+01  0.371242D+01 -0.903370D+00  0.119890D+02
      3   0.256009D+01 -0.457819D+01 -0.279568D+01  0.190232D+01  0.405122D+01
      4  -0.907899D+01  0.133426D+02  0.103550D+02 -0.110956D+02 -0.203486D+02
      5   0.178961D+02 -0.774897D+01 -0.971047D+01  0.913167D+01  0.317960D+02
      6   0.637208D+01 -0.637915D+01 -0.710009D+01  0.844631D+01  0.136537D+02
               116           117           118           119           120 
      1  -0.274644D+01  0.866054D+01 -0.330916D+01  0.307452D+00 -0.163910D+01
      2   0.510243D-01 -0.136661D+02 -0.487222D+01  0.823482D+00 -0.420085D+01
      3   0.269542D+01  0.500554D+01  0.818138D+01 -0.113093D+01  0.583995D+01
      4  -0.184425D+02  0.192091D+02 -0.239238D-01  0.386087D+01  0.469152D+00
      5   0.150666D+02 -0.361250D+02  0.861214D+01 -0.881688D+00  0.118478D+02
      6   0.114373D+02 -0.172556D+02  0.647057D+00  0.125772D+01  0.200119D+00
               121           122           123           124           125 
      1   0.700247D+01 -0.468264D+01  0.276740D+01 -0.994246D+01  0.234298D+00
      2  -0.191946D+01 -0.364151D+00  0.131369D+01 -0.601078D+01  0.335912D+01
      3  -0.508301D+01  0.504679D+01 -0.408109D+01  0.159532D+02 -0.359342D+01
      4   0.413896D+01  0.639076D+00  0.295867D+01  0.130136D+01  0.373233D+01
      5  -0.137958D+01  0.303133D+01 -0.221704D+01  0.175961D+02 -0.271120D+01
      6   0.147334D+01 -0.145244D+01  0.691152D+01  0.146041D+01  0.448825D+01
               126           127           128           129           130 
      1  -0.245643D+02 -0.304103D+01  0.754730D+01 -0.552228D+01  0.465092D+01
      2  -0.189202D+02  0.286339D+01 -0.968345D+01  0.502273D+01 -0.535205D+01
      3   0.434844D+02  0.177641D+00  0.213615D+01  0.499543D+00  0.701129D+00
      4  -0.462777D+00 -0.519055D+01  0.344589D+00 -0.238703D+01  0.211523D+01
      5   0.234548D+02 -0.488868D+00  0.527069D+00 -0.816962D+00  0.559437D+00
      6   0.909723D+00 -0.574283D+01  0.383727D+01 -0.572363D+01  0.260656D+01
               131           132           133           134           135 
      1  -0.131179D+02  0.520744D+01 -0.901013D+01  0.962988D+01 -0.135560D+02
      2   0.155438D+02 -0.533556D+01  0.610030D+01 -0.105906D+02  0.926502D+01
      3  -0.242590D+01  0.128118D+00  0.290983D+01  0.960671D+00  0.429097D+01
      4   0.208992D+00  0.817532D+00 -0.486569D+01 -0.691359D+00 -0.805305D+00
      5  -0.831692D+00  0.169850D+01 -0.258882D+00  0.259267D+01 -0.410980D+01
      6  -0.495590D+01  0.858494D+01 -0.446673D+01  0.112477D+02 -0.131105D+02
               136           137           138           139           140 
      1  -0.121217D+01  0.367383D+01  0.523805D+00  0.197165D+01 -0.311215D+02
      2   0.278659D+01 -0.201558D+01  0.465665D+00  0.667052D+00  0.413773D+02
      3  -0.157441D+01 -0.165825D+01 -0.989470D+00 -0.263871D+01 -0.102558D+02
      4   0.538485D+01  0.794779D+01  0.342939D+01  0.811841D+01  0.207794D+02
      5   0.109039D+01  0.319745D+01  0.351868D+01  0.257574D+01  0.903165D+01
      6   0.359218D+01  0.104981D+01 -0.225944D+00  0.198635D+01  0.268907D+02
               141           142           143           144           145 
      1  -0.150315D+02 -0.446391D+00 -0.214297D+02 -0.181867D+02 -0.775501D+01
      2   0.166012D+02  0.253541D+01  0.224252D+02  0.130265D+02  0.691791D+01
      3  -0.156966D+01 -0.208902D+01 -0.995436D+00  0.516022D+01  0.837103D+00
      4   0.976959D+01  0.498067D+01  0.147508D+02  0.929023D+01  0.258887D+01
      5   0.607096D+01  0.340342D+01  0.964794D+01  0.844357D+01  0.370208D+01
      6   0.190459D+02  0.125074D+01  0.253206D+02  0.217458D+02  0.593144D+01
               146           147           148           149           150 
      1  -0.108612D+02 -0.639193D+01 -0.896687D+01 -0.219529D+02 -0.681763D+01
      2   0.118500D+02  0.186775D+01  0.105235D+02  0.248842D+02  0.200757D+01
      3  -0.988740D+00  0.452418D+01 -0.155659D+01 -0.293129D+01  0.481006D+01
      4   0.147828D+00  0.108165D+01  0.214564D+01 -0.615608D+01 -0.249314D+01
      5   0.448730D+01  0.264528D+01  0.615714D+01  0.257372D+01 -0.232260D+01
      6   0.968522D+01  0.364141D+01  0.691131D+01  0.178016D+02  0.915098D+01
               151           152           153           154           155 
      1  -0.193292D+01 -0.100004D+01 -0.223928D+01 -0.631583D+01  0.273975D+01
      2  -0.151610D+00 -0.178858D+01  0.107541D+01 -0.173170D+01  0.305078D+01
      3   0.208453D+01  0.278862D+01  0.116387D+01  0.804754D+01 -0.579052D+01
      4   0.101078D+01  0.439102D+00 -0.532195D+00  0.265341D+01 -0.284328D+01
      5   0.278254D+01 -0.403255D+00  0.244126D+00  0.173692D+01 -0.652512D+00
      6   0.172008D+01  0.515426D+01  0.209140D+01 -0.225285D+01  0.534740D+01
               156           157           158           159           160 
      1  -0.901475D+01  0.453054D+01 -0.927426D+01  0.103581D+02 -0.536181D+01
      2  -0.204525D+01  0.124843D+01  0.151675D+01  0.435058D+01 -0.127135D+01
      3   0.110600D+02 -0.577897D+01  0.775751D+01 -0.147087D+02  0.663315D+01
      4   0.333109D+01 -0.337746D+01  0.733637D+01 -0.440505D+01  0.326568D+01
      5   0.351153D+01 -0.172550D+01  0.441707D+00  0.400527D+01  0.492080D+01
      6  -0.289460D+01  0.416611D+01 -0.879390D+01  0.579619D+01 -0.317571D+01
               161           162           163           164           165 
      1   0.634971D+01 -0.100731D+02  0.161307D+02 -0.183168D+01 -0.370051D+01
      2   0.251901D+01 -0.669626D+01 -0.177306D+02  0.337992D+01  0.154132D+02
      3  -0.886872D+01  0.167693D+02  0.159989D+01 -0.154825D+01 -0.117127D+02
      4  -0.314685D+01  0.376882D+01 -0.136645D+02  0.100144D+02  0.102701D+02
      5  -0.131244D+00 -0.216774D+01 -0.337243D+02  0.108032D+02  0.313870D+02
      6   0.605973D+01 -0.471353D+01  0.895537D+01 -0.742385D+01 -0.101179D+02
               166           167           168           169           170 
      1  -0.130339D+01 -0.179351D+01 -0.125921D+01 -0.410722D+01 -0.989169D+00
      2   0.191443D+01  0.152787D+00 -0.431378D+00  0.130611D+02 -0.200638D+01
      3  -0.611041D+00  0.164072D+01  0.169059D+01 -0.895389D+01  0.299555D+01
      4   0.762845D+01 -0.605978D+01 -0.736724D+01  0.836187D+01 -0.612376D+01
      5   0.653066D+01 -0.758782D+01 -0.616325D+01  0.251631D+02 -0.865354D+01
      6  -0.517861D+01  0.636285D+01  0.833825D+01 -0.781339D+01  0.750252D+01
               171           172           173           174           175 
      1  -0.254559D+01  0.161545D+02 -0.261704D+01  0.990554D+01  0.482007D+01
      2  -0.167487D+02 -0.118552D+02  0.130210D+01 -0.107196D+02 -0.348471D+01
      3   0.192943D+02 -0.429926D+01  0.131494D+01  0.814106D+00 -0.133536D+01
      4  -0.873617D+01 -0.628423D+01  0.330606D+01 -0.145328D+01  0.970731D+00
      5  -0.294427D+02  0.147124D+02  0.101795D+01  0.193854D+02  0.636622D+01
      6   0.107226D+02 -0.309707D+01  0.820144D-01 -0.561722D+01 -0.306323D+00
               176           177           178           179           180 
      1  -0.183304D+01  0.478351D+01  0.129255D+02  0.261298D+01  0.859891D+01
      2  -0.127237D+00 -0.724695D+01 -0.142938D+02 -0.487482D+01 -0.241373D+02
      3   0.196027D+01  0.246343D+01  0.136829D+01  0.226184D+01  0.155383D+02
      4   0.367471D+01  0.433597D+01 -0.487827D+01  0.833378D+01 -0.515500D+01
      5   0.477052D+01  0.888071D+01  0.267493D+02 -0.108573D+01  0.466290D+02
      6   0.687112D-01  0.180629D+01 -0.829738D+01  0.530579D+01 -0.165160D+02
               181           182           183           184           185 
      1  -0.852215D+01 -0.206333D+02  0.233936D+01 -0.141660D+02 -0.344400D+02
      2   0.894978D+01  0.227985D+02 -0.272188D+01  0.108427D+02  0.468635D+02
      3  -0.427624D+00 -0.216527D+01  0.382521D+00  0.332333D+01 -0.124234D+02
      4   0.514783D+00 -0.707229D+01  0.346071D+01  0.503286D+01 -0.273562D+02
      5  -0.307668D+01  0.185090D+01 -0.936344D+00 -0.795951D+00  0.246379D+01
      6  -0.107109D+01 -0.654721D+01  0.441483D+01 -0.256638D+01 -0.121861D+02
               186           187           188           189           190 
      1   0.679469D+01 -0.399109D+00  0.654323D+01 -0.372694D+01  0.619096D+02
      2  -0.611776D+01 -0.136723D+01 -0.435129D+01  0.280923D+01 -0.243737D+02
      3  -0.676929D+00  0.176634D+01 -0.219194D+01  0.917709D+00 -0.375360D+02
      4   0.358183D+01  0.250960D+01  0.989541D+00 -0.339493D+01 -0.417114D+02
      5  -0.397763D+01  0.302087D+01 -0.358615D+01  0.429427D+01 -0.144166D+02
      6   0.823608D+01  0.856890D+00  0.823564D+01 -0.429459D+01  0.710266D+01
               191           192           193           194           195 
      1  -0.201548D+02 -0.145491D+02 -0.119424D+02  0.532973D+01  0.401157D+01
      2   0.425426D+01  0.462889D+01  0.141374D+00  0.513343D+01 -0.280367D-01
      3   0.159006D+02  0.992021D+01  0.118010D+02 -0.104632D+02 -0.398354D+01
      4   0.236735D+02  0.103575D+02  0.202281D+02 -0.170534D+02 -0.697223D+01
      5   0.570787D+01  0.149107D+02  0.483913D+01 -0.506693D+01 -0.233434D+01
      6  -0.390220D+01 -0.696091D+01 -0.374941D+01  0.214846D+01  0.316579D+01
               196           197           198           199           200 
      1  -0.273269D+02  0.912862D+01  0.126308D+02  0.604162D+00  0.157712D+01
      2   0.904968D+01 -0.109549D+00 -0.756162D+01 -0.880497D+00 -0.237243D-01
      3   0.182772D+02 -0.901907D+01 -0.506915D+01  0.276335D+00 -0.155340D+01
      4   0.228343D+02 -0.171450D+02 -0.100072D+02  0.383408D+01  0.561183D+01
      5   0.183378D+02 -0.675634D+01 -0.121477D+02 -0.130964D+01 -0.199345D+01
      6  -0.867667D+01  0.459470D+01  0.674063D+01 -0.245300D+01 -0.661578D+00
               201           202           203           204           205 
      1  -0.145168D+01  0.214890D+01 -0.131575D+02  0.611097D+01 -0.147853D+01
      2   0.582616D+00 -0.574548D+00  0.130276D+02 -0.261821D+01  0.299484D+01
      3   0.869064D+00 -0.157435D+01  0.129959D+00 -0.349276D+01 -0.151631D+01
      4  -0.110847D+01  0.506373D+01  0.886299D+01 -0.299887D+01 -0.138460D+01
      5   0.138237D+01 -0.231609D+01 -0.385075D+01  0.250136D+01  0.205895D+01
      6   0.543979D+00 -0.590918D+00 -0.110377D+02  0.638417D+01  0.214954D+01
               206           207           208           209           210 
      1   0.492454D+01 -0.113044D+01 -0.123596D+01 -0.160511D+01  0.345318D+00
      2  -0.245748D+01  0.769644D+00  0.285683D+01  0.973193D+00 -0.766019D-01
      3  -0.246706D+01  0.360795D+00 -0.162087D+01  0.631918D+00 -0.268716D+00
      4  -0.126501D+01  0.460963D+00 -0.135863D+01  0.525291D+01 -0.100919D+01
      5   0.168748D+01 -0.189831D+00  0.858510D+00 -0.502831D+00  0.754602D+00
      6   0.475822D+01 -0.358657D+01 -0.525509D+00  0.119073D+01 -0.135358D+00
               211           212           213           214           215 
      1  -0.521598D+01 -0.210984D+02  0.318218D+01  0.238892D+01  0.477118D+01
      2   0.239236D+01  0.271144D+02 -0.317348D+01 -0.313047D+00 -0.502121D+01
      3   0.282361D+01 -0.601597D+01 -0.869389D-02 -0.207587D+01  0.250030D+00
      4   0.328645D+01 -0.205090D+02  0.307308D+01 -0.143586D+01  0.511886D+01
      5  -0.535667D+00  0.229980D+01 -0.248987D+01 -0.842694D+00 -0.239397D+01
      6   0.446565D+00 -0.183787D+01  0.464638D+01  0.143028D+01  0.392132D+01
               216           217           218           219           220 
      1  -0.414060D+01  0.560953D+01  0.650337D+01 -0.630708D+01  0.510867D+01
      2   0.339313D+01 -0.404983D+01 -0.488547D+01  0.211228D+01 -0.234432D+01
      3   0.747475D+00 -0.155970D+01 -0.161790D+01  0.419479D+01 -0.276435D+01
      4  -0.280307D+01  0.226662D+01 -0.331625D+01 -0.981536D+00  0.318500D+01
      5   0.165103D+01 -0.324791D+01  0.505543D+00 -0.550698D+00 -0.353153D+00
      6  -0.224441D+01 -0.232291D+01  0.119016D+01 -0.274610D+01 -0.120830D+01
               221           222           223           224           225 
      1  -0.785800D+01  0.490780D+01 -0.883863D+01  0.485134D+01 -0.170144D+02
      2   0.641948D+01 -0.387771D+01  0.479704D+01 -0.258458D+01 -0.393895D+01
      3   0.143852D+01 -0.103009D+01  0.404159D+01 -0.226677D+01  0.209534D+02
      4   0.859874D+01 -0.663517D+01 -0.104359D+02 -0.160611D+02  0.144470D+02
      5  -0.715148D+01  0.867774D+01  0.975171D+01  0.166158D+02 -0.439736D+02
      6  -0.589084D+01  0.976585D+01  0.373714D+01  0.136868D+02 -0.239495D+02
               226           227           228           229           230 
      1   0.880096D+02  0.207536D+02  0.652317D+01  0.809703D+01  0.817021D+01
      2  -0.400241D+02 -0.595532D+01 -0.289846D+01  0.296365D+00 -0.672842D+00
      3  -0.479855D+02 -0.147983D+02 -0.362471D+01 -0.839340D+01 -0.749737D+01
      4   0.433590D+02  0.222075D+02  0.356493D+01  0.154151D+02  0.977377D+01
      5   0.374707D+01  0.126378D+01  0.120337D+02  0.898105D+00  0.197125D+01
      6   0.306017D+01  0.627054D+00  0.410199D+01  0.649551D-01  0.124897D+01
               231           232           233           234           235 
      1   0.395787D+00  0.127063D+02  0.278231D+01  0.784339D+01 -0.515137D+01
      2   0.100638D+01 -0.616427D+01  0.217351D+00 -0.469666D+01  0.518374D+01
      3  -0.140216D+01 -0.654203D+01 -0.299966D+01 -0.314673D+01 -0.323641D-01
      4   0.240793D+01  0.713309D+01  0.504305D+01  0.674890D+01 -0.604354D+00
      5   0.235769D+01  0.125166D+02  0.528329D+01  0.246791D+01  0.451564D+01
      6   0.221676D+01  0.411424D+01  0.323961D+01  0.704933D+00  0.362928D+01
               236           237           238           239           240 
      1   0.153285D+02  0.918175D+01  0.151971D+02 -0.215024D+02 -0.867639D+01
      2  -0.155411D+02 -0.649918D+01 -0.966558D+01  0.272703D+02  0.993990D+01
      3   0.212540D+00 -0.268257D+01 -0.553152D+01 -0.576789D+01 -0.126351D+01
      4  -0.100055D+02 -0.233776D+00  0.304641D+01  0.211263D+02  0.643102D+01
      5  -0.215150D+01 -0.527958D+01 -0.276742D+01  0.780142D+01  0.937189D+01
      6  -0.434366D+01 -0.537787D+01 -0.212247D+01  0.895541D+01  0.846731D+01
               241           242           243 
      1   0.104789D+02 -0.100807D+02 -0.131616D+02
      2  -0.523196D+01  0.123744D+02  0.846429D+01
      3  -0.524689D+01 -0.229368D+01  0.469733D+01
      4   0.361977D+01  0.126441D+02  0.876377D+01
      5  -0.547023D+00  0.109079D+02  0.738840D+01
      6  -0.172235D+01  0.115225D+02  0.812171D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130893D+03      0.193964D+02      0.215814D+02
   aniso      0.636293D+02      0.942889D+01      0.104911D+02
   xx         0.170418D+03      0.252534D+02      0.280982D+02
   yx        -0.588551D+01     -0.872143D+00     -0.970390D+00
   yy         0.120244D+03      0.178183D+02      0.198255D+02
   zx         0.707199D+01      0.104796D+01      0.116601D+01
   zy        -0.319072D+01     -0.472816D+00     -0.526079D+00
   zz         0.102018D+03      0.151174D+02      0.168204D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130893D+03      0.193964D+02      0.215814D+02
   aniso      0.636293D+02      0.942889D+01      0.104911D+02
   xx         0.112158D+03      0.166202D+02      0.184924D+02
   yx        -0.129107D+02     -0.191317D+01     -0.212869D+01
   yy         0.117663D+03      0.174358D+02      0.194000D+02
   zx        -0.168662D+02     -0.249932D+01     -0.278086D+01
   zy         0.111579D+02      0.165343D+01      0.183969D+01
   zz         0.162858D+03      0.241331D+02      0.268517D+02

 ----------------------------------------------------------------------
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 MAN IS THE MEASURE OF ALL THINGS.
  -- PROTAGORAS (5TH CENTURY B.C.)
 Job cpu time:       0 days  3 hours  6 minutes  9.7 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 20.6 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:04:02 2021.
